data_6iwj_residue ############################ # Computer software used # ############################ 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 6iwj _Structure_validation_residue.Date_analyzed 2019-02-08 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 ' 3' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo . . . . . 0 N--CA 1.494 1.525 0 CA-C-O 120.839 0.266 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.26 133.2 33.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.627 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.44 ' NH2' ' OE2' ' B' ' 26' ' ' GLU . 5.7 mmm-85 -105.2 146.87 28.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -124.56 149.6 46.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.548 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.39 131.75 51.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.406 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.5 87.03 5.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 59.8 t -76.0 165.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.461 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 1.6 ttm180 -137.6 133.88 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.682 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.21 109.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.323 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 m -102.93 125.81 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -126.19 100.39 6.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.419 ' O ' ' OE2' ' B' ' 74' ' ' GLU . 2.6 t -146.08 155.45 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.674 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 11.7 p -134.6 115.81 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 172.29 -177.38 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.04 135.61 2.63 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -93.6 149.78 20.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.671 0.272 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -106.54 150.65 25.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.536 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.34 141.47 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.07 136.57 42.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.5 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -136.49 141.59 40.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.8 126.01 49.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.5 mt -133.71 115.34 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.32 138.15 31.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.56 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -133.36 158.52 42.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.44 ' C ' ' H ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -133.82 -73.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.675 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -76.86 15.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.603 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.1 mm-40 54.45 30.62 13.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.479 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.42 -33.94 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -101.89 133.32 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.69 0.281 . . . . 0.0 110.597 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.44 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 12.0 p -107.41 109.17 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.558 ' CG1' ' H ' ' A' ' 34' ' ' THR . 7.4 p -53.81 -59.91 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.558 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -151.27 163.58 38.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.641 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.4 m -138.66 115.73 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.409 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -113.39 139.84 48.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.758 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.78 146.05 35.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -59.69 107.94 0.67 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.568 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -70.19 -16.6 63.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.449 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.2 -63.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.489 ' OE1' ' SG ' ' A' ' 42' ' ' CYS . 1.3 pp20? -55.77 -23.16 28.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.608 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.489 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 48.0 m -77.31 -39.52 47.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -34.49 76.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.51 -28.34 56.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.5 mm -74.79 -24.71 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.592 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.28 -27.5 65.5 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.09 -30.78 68.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 110.468 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.63 -32.3 32.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.595 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -85.21 -50.03 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.5 -18.85 54.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -85.8 156.65 58.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -38.7 157.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.319 2.013 . . . . 0.0 111.884 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.89 -47.91 0.54 Allowed 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.277 1.985 . . . . 0.0 112.254 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.9 ttp85 -52.17 -48.89 64.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.601 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -47.6 -36.34 10.59 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.68 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.63 -37.05 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -61.63 -54.01 48.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -25.8 67.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 59' ' ' MET . 10.3 tmm? -78.75 -51.16 10.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.5 t -74.09 -13.36 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -79.84 -62.33 1.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.35 -35.59 39.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -67.42 -38.76 85.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.565 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.19 -21.74 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -78.19 -41.89 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.567 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -100.25 -0.36 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.492 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 48.74 99.07 0.01 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.97 178.92 36.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.517 ' CZ2' ' O ' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -102.83 174.23 5.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.939 0.399 . . . . 0.0 110.392 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 t -142.84 143.94 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.7 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.49 ' OD2' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -127.95 112.85 15.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.384 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mp -76.49 -16.32 59.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -53.67 -23.97 12.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.24 20.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.456 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 46.0 75.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -133.03 165.4 24.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.58 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.0 mt -144.57 130.6 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.499 ' CB ' ' HE1' ' A' ' 69' ' ' TRP . 16.8 mmtm -137.54 160.15 39.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.517 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 1.4 t -75.26 159.5 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.538 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.112 0.482 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.65 161.58 14.45 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.498 2.132 . . . . 0.0 112.134 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -127.64 177.23 6.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.574 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -160.92 142.27 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.716 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -102.12 146.67 27.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.527 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.39 131.23 56.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.657 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -98.34 148.34 23.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.671 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 59.0 t -138.97 129.1 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -97.09 123.41 40.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.539 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.17 108.07 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.488 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -104.08 157.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -157.69 95.47 1.43 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.332 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 p -130.56 123.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.448 ' O ' ' CB ' ' B' ' 16' ' ' ALA . 23.8 m -135.48 144.35 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' B' ' 15' ' ' VAL . . . 78.79 154.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.87 -140.61 5.9 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -83.22 179.24 7.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.439 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -146.32 148.94 32.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.705 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 24.5 t -137.72 131.89 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.9 m -98.41 122.84 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' B' ' 23' ' ' LYS . 70.2 t -102.33 159.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' B' ' 22' ' ' VAL . 29.8 tttp -122.32 128.49 51.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.6 mt -136.5 119.69 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.78 101.81 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.44 ' OE2' ' NH2' ' A' ' 5' ' ' ARG . 3.6 tt0 -106.89 129.64 54.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.3 p -85.87 175.01 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.422 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.49 -49.14 77.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.45 -29.88 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.48 28.71 6.6 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.59 147.97 24.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.734 0.302 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.6 p -107.58 118.87 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.595 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.658 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.4 p -76.94 -94.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.331 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.658 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 6.0 m -135.35 138.5 43.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.47 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 m -98.93 131.21 46.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.71 107.34 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.551 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.26 135.35 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -41.65 118.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -73.32 -22.81 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.626 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.466 ' CG ' ' N ' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -69.52 -61.06 1.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.866 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' B' ' 40' ' ' ASP . 6.2 pt-20 -59.42 -25.69 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.739 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 35.4 m -81.87 -16.17 51.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.67 -53.39 7.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.571 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.7 -41.81 98.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.546 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mm -58.75 -26.33 31.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.402 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.11 -18.62 78.3 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -84.2 -33.01 24.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.947 0.403 . . . . 0.0 110.651 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -85.63 -20.91 28.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.656 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 66.3 p -98.14 -42.36 7.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.539 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.31 28.73 9.49 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 mt -125.53 132.43 24.31 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -40.46 157.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.678 1.585 . . . . 0.0 111.728 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -71.33 -54.39 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.355 2.037 . . . . 0.0 112.068 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -49.28 -44.12 43.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.505 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -36.8 81.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.396 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 68.5 t -73.44 -34.63 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.599 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -61.8 -48.75 79.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.5 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.58 -29.32 70.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.523 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 10.3 tmm? -73.07 -63.47 1.17 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.643 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.523 ' N ' ' SD ' ' B' ' 59' ' ' MET . 9.1 p -59.57 -28.63 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.63 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' B' ' 62' ' ' ALA . 4.3 tm-20 -63.51 -61.59 2.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.505 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.47 ' N ' ' CD ' ' B' ' 61' ' ' GLU . . . -48.57 -27.36 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -67.12 -62.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.79 -24.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' B' ' 63' ' ' ALA . 7.5 tpp180 -73.69 -44.1 57.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.79 1.75 10.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 43.54 92.45 0.01 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.33 -175.11 33.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -103.85 159.23 15.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.678 0.275 . . . . 0.0 110.614 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.35 141.22 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.672 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -113.5 121.86 45.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.529 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 mp -88.03 -58.37 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.743 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -62.07 1.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' B' ' 72' ' ' LEU . 15.8 mm-40 -132.93 -18.66 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.559 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 55.83 61.55 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.495 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -139.85 157.5 45.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.736 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 mt -139.94 128.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -146.7 166.61 26.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.482 ' CG2' ' N ' ' B' ' 80' ' ' GLN . 3.4 p -137.45 160.74 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.482 ' N ' ' CG2' ' B' ' 79' ' ' VAL . 2.7 pt20 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.484 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 N--CA 1.491 1.373 0 CA-C-O 120.771 0.238 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -101.51 150.31 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.485 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -158.02 134.06 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.571 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.46 ' HE1' ' OD1' ' A' ' 8' ' ' ASP . 54.6 p90 -86.3 146.1 26.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.523 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -110.34 130.17 55.6 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.662 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.46 ' OD1' ' HE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -100.56 103.41 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.611 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.6 t -76.91 129.1 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.691 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -90.54 124.15 34.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.14 126.47 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 m -134.3 138.36 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.23 97.6 4.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 p -154.38 151.01 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.679 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -140.29 143.51 29.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.568 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 77.74 158.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.62 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.87 -74.46 0.06 OUTLIER Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -138.11 145.0 41.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -138.87 130.23 27.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.67 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.427 ' CG2' ' N ' ' A' ' 21' ' ' SER . 6.1 p -98.23 158.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.427 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -94.45 130.53 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.7 t -142.97 133.39 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -98.12 105.98 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.459 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 mt -111.9 120.07 61.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.66 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -102.49 123.74 46.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.62 166.9 12.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.564 ' OG1' HG23 ' A' ' 33' ' ' VAL . 5.4 m -148.32 -50.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -95.62 17.01 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.435 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 53.9 16.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.01 -34.1 0.02 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -101.3 150.32 23.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.784 0.326 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 14.1 p -107.63 108.15 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.384 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.564 HG23 ' OG1' ' A' ' 27' ' ' THR . 74.2 t -53.7 -59.6 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 p -148.84 163.75 36.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.595 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.4 m -133.15 146.12 32.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.629 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 113.77 13.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.945 0.402 . . . . 0.0 110.463 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.2 147.67 26.36 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.594 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.09 124.47 32.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -73.49 -28.28 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.69 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.84 -64.49 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -55.7 28.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.6 m -48.03 -41.57 25.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -65.47 -19.32 65.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.506 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -82.5 -55.82 4.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.406 ' N ' ' CD1' ' A' ' 45' ' ' ILE . 1.7 mp -46.97 -36.62 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.512 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.17 -26.62 72.53 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' GLU . 2.4 tp10 -76.44 -32.3 58.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.549 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -83.94 -40.61 18.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.681 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.487 ' HG1' ' H ' ' A' ' 50' ' ' GLY . 41.9 p -84.97 -46.05 11.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.541 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.487 ' H ' ' HG1' ' A' ' 49' ' ' THR . . . 101.96 29.16 6.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mt -110.78 131.8 21.93 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -40.75 157.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 C-N-CA 121.862 1.708 . . . . 0.0 111.731 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -72.04 -57.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.314 2.009 . . . . 0.0 111.98 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.02 -37.85 7.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.601 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -68.89 -39.94 79.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.615 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.3 t -77.78 -26.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.634 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -66.5 -43.08 86.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.97 -24.66 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.519 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.477 ' SD ' ' O ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -76.64 -43.55 37.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.486 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.4 t -75.94 -33.27 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -72.66 -43.19 63.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.453 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.13 77.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.444 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.42 -49.81 76.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.25 -23.61 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -74.2 -47.51 35.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.03 1.51 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 51.37 97.88 0.01 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.3 -155.19 8.22 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.674 ' CZ3' ' HB2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -136.79 169.23 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.567 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 71' ' ' ASP . 46.3 t -133.15 157.28 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -141.96 113.08 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' GLU . 10.0 mp -75.51 -22.1 57.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -43.18 -20.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -168.95 28.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.539 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 42.16 87.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.658 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -140.03 161.83 36.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.1 mt -137.04 125.75 35.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.674 ' HB2' ' CZ3' ' A' ' 69' ' ' TRP . 55.5 mttt -141.65 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.646 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.431 ' O ' ' CG2' ' A' ' 79' ' ' VAL . 2.5 p -141.07 -9.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.534 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 76.9 t . . . . . 0 N--CA 1.467 0.385 0 CA-C-O 120.695 0.283 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -52.0 157.27 6.22 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.562 2.175 . . . . 0.0 112.041 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 3.1 p -167.12 131.86 2.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.47 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -170.16 149.09 3.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -77.04 142.07 40.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.696 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -110.14 157.58 19.24 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.17 109.36 11.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -82.15 119.61 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.514 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.43 126.1 29.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.682 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.19 88.59 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.573 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 m -101.24 153.04 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.54 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.71 95.04 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.629 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 t -96.49 154.28 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.511 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.36 124.55 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.05 176.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.657 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.8 -136.75 3.29 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.26 126.18 34.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.314 . . . . 0.0 110.598 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.95 127.72 48.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.681 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -102.68 132.87 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.53 125.38 31.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.651 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 69.9 t -140.2 117.02 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.468 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.31 130.91 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.54 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.6 mt -137.03 132.26 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.726 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.06 99.09 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -100.32 147.78 25.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -99.83 -155.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.445 ' N ' ' OG1' ' B' ' 27' ' ' THR . 51.5 mt-10 -94.92 23.14 5.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -138.72 19.55 2.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.455 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.02 36.93 76.36 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -103.29 133.85 47.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.512 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.44 ' O ' ' CG1' ' B' ' 32' ' ' VAL . 7.2 p -107.64 89.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.481 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.483 ' CG1' ' H ' ' B' ' 34' ' ' THR . 7.3 p -49.02 -55.47 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.483 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 1.4 m -151.15 163.6 38.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.595 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 18.1 m -134.08 149.97 30.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.499 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -132.64 85.02 2.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.43 114.43 9.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.431 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 0.4 OUTLIER -41.96 115.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.495 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -77.36 -10.13 59.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.633 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.73 -64.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.526 ' N ' ' OE2' ' B' ' 41' ' ' GLU . 1.6 mm-40 -60.4 -42.46 95.99 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.602 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 78.6 m -56.3 -38.75 71.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -56.17 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.409 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -47.14 -60.12 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.28 -20.25 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.51 -30.68 34.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.91 -36.99 84.91 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.847 0.356 . . . . 0.0 110.669 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.44 -25.27 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.689 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -85.06 -49.87 7.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.551 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.42 -23.52 33.94 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -85.72 156.74 58.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -39.35 157.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 122.355 2.036 . . . . 0.0 111.833 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.94 -56.79 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.379 2.052 . . . . 0.0 112.005 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -43.86 -50.35 7.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.623 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -47.02 -37.1 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.646 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 72.6 t -78.38 -38.05 22.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.745 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -55.28 -47.64 75.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.603 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.37 76.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' B' ' 59' ' ' MET . 14.3 tmm? -70.26 -43.19 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.597 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.88 -31.5 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.677 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -72.7 -51.69 18.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.557 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.66 -37.07 65.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -57.88 -63.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.12 -25.26 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -47.45 74.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -2.39 9.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.662 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 50.69 101.56 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.34 -153.11 6.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.539 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -127.54 162.26 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 110.461 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' B' ' 71' ' ' ASP . 54.6 t -138.34 156.7 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.477 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.5 OUTLIER -135.68 113.17 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.415 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' B' ' 74' ' ' GLU . 2.6 mp -72.2 -53.72 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -72.4 43.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' B' ' 72' ' ' LEU . 1.5 tm-20 -175.57 -23.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 58.51 70.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.521 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -138.82 147.44 42.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.461 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -140.55 119.19 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -138.11 167.01 22.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.43 ' O ' ' NE1' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -86.96 -176.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.539 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 N--CA 1.492 1.397 0 CA-C-O 120.843 0.268 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 p -78.66 140.52 38.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.563 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -119.49 135.18 54.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.485 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -103.2 153.35 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -127.67 125.33 39.88 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -103.11 110.04 21.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.0 t -103.03 110.98 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -78.51 123.41 27.03 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.616 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -113.33 125.32 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.3 m -133.26 168.34 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -155.71 95.28 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.438 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -154.31 155.87 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.29 107.46 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.5 168.08 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.13 169.44 39.66 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -171.24 3.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.865 0.365 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -150.51 150.92 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.633 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.78 143.42 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.6 m -95.92 140.42 30.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.7 t -137.6 139.13 43.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -105.95 129.27 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.463 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.0 mt -139.01 121.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.44 139.38 35.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.669 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -133.38 163.74 28.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.52 ' C ' ' H ' ' A' ' 29' ' ' GLU . 71.0 p -133.9 -76.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' OG1' ' A' ' 27' ' ' THR . 30.3 mt-10 -69.4 9.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.616 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.1 mt-10 60.23 13.29 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.18 -31.91 0.19 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.98 139.52 38.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.727 0.299 . . . . 0.0 110.658 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 10.2 p -107.56 105.59 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.538 ' CG1' ' H ' ' A' ' 34' ' ' THR . 7.4 p -52.17 -58.46 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.998 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.538 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 88.7 m -151.21 163.46 38.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.779 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.429 ' N ' ' CG2' ' A' ' 34' ' ' THR . 16.4 m -132.42 143.39 40.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.443 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.31 167.7 16.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.7 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.95 116.04 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.475 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.71 105.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 1.027 ' CD1' ' NH1' ' A' ' 43' ' ' ARG . 45.5 p90 -73.88 -12.69 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.56 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.57 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.556 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -58.44 -46.23 86.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.3 m -49.17 -37.92 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.675 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 1.027 ' NH1' ' CD1' ' A' ' 39' ' ' PHE . 6.4 mtm180 -73.2 -26.43 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.573 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 4.0 mm-40 -82.3 -30.8 30.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.7 mt -75.34 -21.24 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.22 -20.62 69.42 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.27 -19.84 45.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.835 0.35 . . . . 0.0 110.501 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 1.1 mp0 -79.3 -41.01 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -43.16 9.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.31 33.42 6.54 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 pt -125.49 147.71 58.93 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -38.04 157.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.187 1.925 . . . . 0.0 112.118 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 56' ' ' VAL . 56.3 Cg_endo -72.59 -49.87 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.285 1.99 . . . . 0.0 112.063 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -43.73 -45.7 7.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.4 -27.39 67.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' PRO . 40.5 t -82.95 -37.4 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -58.85 -49.69 76.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.365 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.41 81.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' A' ' 59' ' ' MET . 2.9 tmm? -62.06 -46.32 89.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.8 t -69.2 -34.0 61.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.57 -58.88 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.23 -31.96 1.72 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.493 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -63.13 -63.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.53 -23.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.732 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.426 ' N ' ' C ' ' A' ' 63' ' ' ALA . 1.3 tmm_? -76.33 -45.71 31.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.479 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -99.85 0.76 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.683 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 40.88 94.49 0.01 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.87 -167.73 24.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 1.1 m0 -104.8 168.68 8.9 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.754 0.312 . . . . 0.0 110.543 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.0 t -147.1 136.64 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -102.21 115.88 31.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 74' ' ' GLU . 3.0 mp -63.74 -56.17 17.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -72.29 43.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.482 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -175.99 -17.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.36 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 47.22 64.96 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.504 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -136.02 153.43 51.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.486 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.2 mp -126.41 137.95 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.526 ' NZ ' ' CZ3' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -137.97 149.98 46.61 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.614 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.499 ' CG1' ' H ' ' A' ' 80' ' ' GLN . 2.7 t -60.27 -134.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.66 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.499 ' H ' ' CG1' ' A' ' 79' ' ' VAL . 40.3 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.52 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -83.67 103.19 1.05 Allowed 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.681 2.254 . . . . 0.0 112.06 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -93.15 148.7 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.743 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -145.83 142.69 29.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -86.29 146.66 26.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -110.35 165.88 11.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.375 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -140.04 109.67 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.778 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 80.9 t -100.04 131.76 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.512 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -96.9 123.18 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.656 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.71 100.68 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 20.2 m -86.55 158.17 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.57 137.14 28.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.437 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -80.16 150.35 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -140.12 137.53 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.43 169.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.99 -101.61 0.16 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.67 169.62 10.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.923 0.392 . . . . 0.0 110.51 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -141.56 123.9 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.348 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -102.0 139.58 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.467 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 8.2 t -101.39 132.44 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 85.4 t -133.61 147.04 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.52 129.18 56.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.1 mt -135.08 132.47 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.35 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.87 128.68 46.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.498 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -133.26 149.5 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.4 p -96.09 -167.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.687 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -99.47 21.64 11.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -132.23 36.16 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.18 60.09 6.45 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -138.51 124.03 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.445 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' B' ' 32' ' ' VAL . 13.1 p -107.59 115.28 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.3 -98.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 8.1 m -139.1 139.82 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.733 0.302 . . . . 0.0 110.624 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.65 141.58 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.458 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 101.6 5.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.535 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.16 159.93 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -83.61 120.68 26.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.463 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 0.75 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 35.0 p90 -77.06 -15.61 59.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.75 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 23.8 m-20 -72.09 -54.83 8.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.629 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.444 ' OE1' ' SG ' ' B' ' 42' ' ' CYS . 1.4 pp20? -65.77 -31.24 72.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . 0.444 ' SG ' ' OE1' ' B' ' 41' ' ' GLU . 0.5 OUTLIER -74.91 -18.63 60.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.579 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -80.84 -34.14 34.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.425 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.07 -33.97 26.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.557 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.9 tp -64.79 -26.85 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.551 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.61 -38.77 94.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.63 -28.06 69.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' B' ' 48' ' ' GLU . 2.1 mm-40 -81.39 -29.76 33.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.644 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 59.3 p -85.07 -49.65 8.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.54 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.75 14.69 33.75 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.54 156.6 70.36 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -38.96 157.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.498 2.132 . . . . 0.0 112.007 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -71.71 -57.1 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.396 2.064 . . . . 0.0 112.208 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -44.01 -53.36 6.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.709 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -43.84 -38.37 3.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 56.0 t -76.79 -43.74 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.611 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -52.65 -48.01 66.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.79 81.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.528 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.3 tmm? -70.93 -44.68 65.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.1 t -74.3 -31.47 28.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.793 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -66.12 -54.94 19.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.368 . . . . 0.0 110.358 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.19 -34.68 61.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -59.44 -62.3 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.661 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.56 -30.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.636 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -42.15 92.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.57 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -102.78 -4.53 9.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.737 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 49.24 93.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.69 -173.41 34.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.88 176.76 5.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.648 0.261 . . . . 0.0 110.693 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.15 156.06 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.3 OUTLIER -133.21 113.05 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.181 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.89 -31.69 70.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -47.15 -24.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.489 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.66 -4.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.478 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' B' ' 71' ' ' ASP . 18.8 ttt-85 54.76 77.12 0.22 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.64 145.91 30.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.534 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.99 136.85 45.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.39 135.91 37.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' B' ' 80' ' ' GLN . 3.4 p -49.43 156.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.423 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' B' ' 79' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.516 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.486 1.064 0 CA-C-O 120.875 0.281 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 p -138.66 141.7 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.56 147.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.608 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -84.94 139.76 31.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.609 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -110.5 131.69 54.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.373 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -100.2 112.34 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.718 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.3 t -83.64 139.17 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.489 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.41 123.36 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.597 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -115.48 93.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.133 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 28.3 m -78.55 101.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.845 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.14 97.67 7.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.398 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -151.46 151.48 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.771 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 9.3 p -140.35 113.23 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 166.92 143.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.707 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.19 167.39 37.48 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -61.92 -178.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.494 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -141.42 127.74 19.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.638 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.7 t -95.76 153.35 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.678 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 m -110.45 108.98 19.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 59.2 t -115.65 165.26 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 7.1 ttpt -130.23 97.5 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.1 mt -99.81 132.26 45.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.641 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -102.69 111.17 23.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.643 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -104.5 155.05 19.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -80.22 0.52 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.23 -64.87 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.676 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -174.53 -36.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.13 43.43 1.52 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -137.73 120.8 16.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.68 126.83 65.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.639 ' CG1' ' H ' ' A' ' 34' ' ' THR . 2.2 p -88.66 -88.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.639 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 28.8 p -126.53 130.55 50.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.545 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 m -100.91 142.49 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.463 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -132.73 116.01 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.598 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.1 130.67 48.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.8 124.9 17.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.623 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 33.0 p90 -78.07 -11.96 59.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.6 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -77.66 -56.22 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.66 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' OE1' ' SG ' ' A' ' 42' ' ' CYS . 1.6 pp20? -60.75 -37.37 81.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 12.2 m -65.51 -37.94 88.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.676 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -77.64 -42.45 34.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.472 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.03 -24.11 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.631 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -80.4 -34.63 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.451 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.9 -18.81 57.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -78.04 -19.92 53.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.301 . . . . 0.0 110.508 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -89.09 -33.5 17.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.3 p -88.57 -50.17 6.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.94 33.91 6.43 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.691 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.53 155.34 72.18 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -35.64 100.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.612 2.208 . . . . 0.0 112.427 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.8 -24.44 10.08 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.183 1.922 . . . . 0.0 112.012 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -61.72 -55.69 27.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.598 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.93 -46.15 78.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.1 t -43.99 -43.46 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -63.34 -51.06 67.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.77 65.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.524 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 59' ' ' MET . 4.9 tmm? -84.64 -46.88 11.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.57 -25.88 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.548 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.51 -57.27 4.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.379 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.97 -38.01 34.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.482 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -61.73 -59.91 4.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.598 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.61 -23.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 63' ' ' ALA . 1.3 ttm-85 -73.88 -46.31 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.491 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -100.0 -0.72 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.469 -179.771 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.91 94.94 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.23 -147.14 4.51 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.431 ' CD1' ' OE2' ' B' ' 74' ' ' GLU . 0.0 OUTLIER -131.79 157.97 42.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.727 0.299 . . . . 0.0 110.476 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.7 t -136.57 139.7 44.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.691 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.78 113.1 23.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.408 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' A' ' 74' ' ' GLU . 5.3 mp -73.26 -48.47 34.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -75.03 27.42 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.6 mt-10 -156.37 -17.05 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 57.44 64.09 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.476 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -139.0 149.32 44.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.2 mt -136.72 85.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.451 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -77.12 127.42 32.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 80' ' ' GLN . 6.8 m -59.37 -144.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.713 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.444 ' N ' ' CG2' ' A' ' 79' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.614 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.579 0.228 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.81 104.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.462 2.108 . . . . 0.0 112.223 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -172.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.625 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -172.63 147.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -101.67 142.26 33.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.534 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -117.55 128.08 54.61 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.64 112.93 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.4 126.99 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -98.91 123.43 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.475 ' O ' ' NE2' ' B' ' 13' ' ' GLN . 2.5 t -120.84 105.34 16.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.345 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 m -96.49 130.18 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.604 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.494 ' N ' ' OE1' ' B' ' 13' ' ' GLN . 0.8 OUTLIER -129.72 96.5 4.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.606 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 p -154.53 155.57 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.453 ' O ' ' CB ' ' B' ' 16' ' ' ALA . 8.8 p -140.31 111.43 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' B' ' 15' ' ' VAL . . . 164.87 153.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.76 -174.57 42.43 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -177.45 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -138.44 115.4 10.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -103.09 116.06 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.633 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.7 t -70.94 126.42 29.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -132.32 130.63 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -102.75 125.13 49.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.559 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mt -135.85 120.29 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.643 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.86 101.49 13.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -101.97 148.8 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.52 ' C ' ' H ' ' B' ' 29' ' ' GLU . 61.2 p -101.56 -83.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -75.25 26.3 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' B' ' 27' ' ' THR . 18.3 tp10 49.24 39.27 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.61 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.26 -38.55 0.02 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -101.79 136.52 41.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.816 0.341 . . . . 0.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.6 p -107.39 89.13 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.619 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' B' ' 34' ' ' THR . 30.4 m -41.94 -49.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.759 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.458 ' N ' ' CG2' ' B' ' 33' ' ' VAL . 88.4 m -151.08 162.51 40.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.684 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.417 ' N ' ' CG2' ' B' ' 34' ' ' THR . 0.8 OUTLIER -151.26 129.88 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.343 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -132.79 102.2 5.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.735 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' B' ' 39' ' ' PHE . . . -77.78 128.97 34.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -41.57 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.417 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 0.52 ' CG ' ' N ' ' B' ' 40' ' ' ASP . 30.0 p90 -58.75 -49.0 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.681 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.52 ' N ' ' CG ' ' B' ' 39' ' ' PHE . 0.0 OUTLIER -43.53 -64.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.543 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.29 -58.09 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -42.79 6.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -73.88 -56.6 4.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.92 -26.62 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -83.69 -37.99 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.63 -31.91 5.4 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.06 -38.08 85.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 110.489 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -75.47 -19.15 59.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.4 ' HG1' ' H ' ' B' ' 50' ' ' GLY . 46.4 p -91.55 -50.21 5.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.59 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . 0.4 ' H ' ' HG1' ' B' ' 49' ' ' THR . . . 89.99 19.58 46.44 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.41 156.32 70.43 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -35.49 100.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.994 2.462 . . . . 0.0 112.327 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.85 -21.62 2.69 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.014 1.809 . . . . 0.0 112.054 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -67.68 -50.75 56.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.16 -29.89 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.445 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.05 -36.3 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.333 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -67.52 -53.56 27.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.461 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.38 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.537 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.3 tmm? -76.46 -57.23 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.537 ' N ' ' SD ' ' B' ' 59' ' ' MET . 2.6 p -70.16 -6.21 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.672 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -83.32 -60.35 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.287 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.53 -37.85 58.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -64.47 -56.74 12.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.591 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.57 -26.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -45.26 43.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.592 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.5 1.72 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 46.68 96.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.13 -161.31 10.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -127.57 153.04 46.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.557 0.218 . . . . 0.0 110.556 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -128.42 151.67 35.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' B' ' 71' ' ' ASP . 0.0 OUTLIER -120.15 113.22 20.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.149 179.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.5 mp -77.6 -57.58 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.983 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -66.95 7.63 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.821 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.4 mm-40 -142.25 -4.27 1.03 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 110.597 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' B' ' 71' ' ' ASP . 10.8 mmt180 42.35 82.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.669 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -150.93 150.78 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 22.7 mt -137.77 100.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -106.92 140.2 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.597 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -85.54 175.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.64 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 -179.921 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 N--CA 1.485 1.013 0 CA-C-O 120.807 0.253 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.6 m -63.27 -179.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -139.65 135.56 33.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -103.28 152.71 21.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -135.02 151.06 50.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.647 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.05 125.68 53.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.542 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -103.12 110.84 30.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.608 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' B' ' 70' ' ' VAL . 15.0 ttm180 -64.23 127.49 31.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.83 108.69 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.641 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.64 131.58 53.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.572 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.72 95.41 4.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.258 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 p -154.02 133.51 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.585 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 14.9 p -135.99 114.33 15.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.491 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 165.21 -177.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.452 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.98 174.02 16.82 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.55 -177.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.502 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -138.64 132.54 31.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.0 t -102.26 153.77 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.556 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.83 117.25 33.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.629 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.62 156.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.647 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -137.52 128.29 27.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.25 148.26 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.548 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.01 119.07 31.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -103.5 145.24 30.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 29' ' ' GLU . 41.3 p -104.35 -177.89 3.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.461 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -79.15 26.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.621 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.6 tt0 -132.21 16.68 4.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.7 23.18 43.11 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -104.74 151.92 23.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 13.7 p -107.56 118.37 55.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.66 ' CG1' ' H ' ' A' ' 34' ' ' THR . 2.6 p -68.67 -99.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.428 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.66 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 29.3 p -119.81 135.04 55.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.769 0.319 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.451 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 3.6 m -101.88 124.01 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.634 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -104.22 138.91 40.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.72 148.14 41.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.529 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.63 113.96 13.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.441 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -67.68 -16.47 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -64.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.752 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' OE1' ' SG ' ' A' ' 42' ' ' CYS . 1.7 pp20? -56.82 -25.95 57.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 93.1 m -72.87 -44.78 60.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -73.45 -52.59 13.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -44.97 -59.72 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.56 -30.86 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.66 -19.92 7.12 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -85.53 -25.83 26.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.652 0.263 . . . . 0.0 110.499 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.24 -29.63 66.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.3 p -89.91 -50.23 6.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.13 29.23 8.1 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.223 -0.513 . . . . 0.0 111.882 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.61 155.81 71.69 Favored Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' A' ' 54' ' ' ARG . 92.8 Cg_exo -35.16 99.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.721 2.281 . . . . 0.0 112.364 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -50.69 -12.63 0.6 Allowed 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.206 1.937 . . . . 0.0 112.05 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' A' ' 52' ' ' PRO . 1.7 tpm_? -71.44 -44.94 63.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.717 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -65.69 -47.06 76.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.023 0.44 . . . . 0.0 110.679 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.5 t -46.85 -50.5 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.616 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -53.12 -54.95 28.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -20.61 66.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -72.68 -43.36 63.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.612 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.8 t -63.0 -55.63 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -43.5 -55.52 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.35 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.59 -43.81 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.453 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -63.1 -58.05 8.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.17 -24.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 ttm-85 -72.06 -46.91 55.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.503 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.06 6.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.558 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.16 83.23 0.02 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.41 -164.25 11.31 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.474 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -116.96 167.88 10.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.334 . . . . 0.0 110.62 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -131.29 145.62 35.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.637 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.433 ' OD1' ' CZ2' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -134.76 112.97 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.517 ' C ' ' H ' ' A' ' 74' ' ' GLU . 8.2 mp -72.32 -24.6 61.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.15 -9.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.527 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.3 mm-40 -175.08 18.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.625 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 43.65 84.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -139.15 131.38 28.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.359 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.78 132.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.586 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.65 ' HZ1' ' NZ ' ' B' ' 78' ' ' LYS . 12.5 ptmt -163.34 153.93 16.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.7 p -54.15 147.2 2.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.608 179.855 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.528 0.116 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.01 110.13 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.516 2.144 . . . . 0.0 112.067 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.66 137.79 48.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.487 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -163.64 147.47 10.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.586 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -79.09 147.27 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.631 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -110.25 167.78 9.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.523 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.71 88.61 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.678 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.8 t -74.25 130.66 35.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.501 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.17 123.17 38.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.69 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.0 t -107.2 130.31 59.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.629 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -134.31 160.94 41.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.82 94.96 1.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.608 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.8 p -154.35 137.43 7.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.453 ' O ' ' CB ' ' B' ' 16' ' ' ALA . 11.4 p -129.92 115.93 35.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.667 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' B' ' 15' ' ' VAL . . . 164.86 177.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.69 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.7 160.59 8.58 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.92 178.59 2.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.825 0.345 . . . . 0.0 110.452 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -150.86 131.66 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.556 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.93 151.11 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.433 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.8 t -101.31 113.13 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.655 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 89.5 t -103.74 156.52 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -124.41 122.14 36.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.493 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.0 mt -130.23 121.46 51.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.616 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.75 130.52 36.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.5 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -133.38 141.07 47.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.404 ' C ' ' H ' ' B' ' 29' ' ' GLU . 30.9 p -98.07 -177.44 3.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.758 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.42 20.87 1.01 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.366 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' B' ' 27' ' ' THR . 7.9 tt0 -119.13 2.19 11.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.469 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.31 18.79 79.45 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -99.34 135.02 41.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.406 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -107.62 125.91 63.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.655 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.5 p -73.02 -97.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.349 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.655 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 2.0 t -138.33 147.82 43.94 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.656 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 p -94.28 142.16 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.608 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -132.77 94.18 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.331 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.06 125.33 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -47.68 98.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -56.1 -18.34 9.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -64.63 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.487 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -57.32 -38.18 73.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 22.1 m -57.03 -43.76 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.634 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -41.08 92.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -70.44 -26.37 63.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -77.38 -28.71 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.73 -22.43 33.14 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -77.99 -25.35 47.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -85.41 -29.67 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.507 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.617 ' HG1' ' N ' ' B' ' 50' ' ' GLY . 59.8 p -90.0 -48.48 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.468 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . 0.617 ' N ' ' HG1' ' B' ' 49' ' ' THR . . . 102.4 -26.38 24.4 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.4 156.22 85.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.31 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -38.82 157.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.402 2.068 . . . . 0.0 111.805 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -71.49 -58.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.391 0 C-N-CA 122.333 2.022 . . . . 0.0 112.123 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 -47.71 11.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -48.12 -28.45 2.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.573 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 t -81.45 -42.79 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -46.15 -54.84 7.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.56 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.23 -58.49 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.473 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -44.0 -40.33 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.581 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 34.1 t -73.41 -45.6 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.2 -44.15 97.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.458 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.64 -47.67 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.355 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' B' ' 65' ' ' ARG . . . -55.35 -63.52 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.58 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.38 -20.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.71 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' B' ' 63' ' ' ALA . 17.0 ttp180 -77.96 -43.36 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.038 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.88 -9.35 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.5 -93.38 0.12 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.11 72.49 0.02 OUTLIER Glycine 0 CA--C 1.528 0.898 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.187 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -141.93 136.83 30.81 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.16 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' ARG . 12.1 t -137.34 132.92 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -134.86 112.83 10.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.1 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mp -89.01 -18.17 27.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.685 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 pttm -49.16 -18.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.327 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -165.49 14.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.506 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 57.44 87.18 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -143.98 167.96 21.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -136.0 134.2 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.493 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.65 ' NZ ' ' HZ1' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -139.81 174.85 10.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.878 0.371 . . . . 0.0 111.013 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.61 144.06 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.448 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.51 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo . . . . . 0 N--CA 1.492 1.405 0 CA-C-O 120.848 0.27 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.97 114.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.516 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -168.41 155.94 7.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.47 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -76.82 138.67 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.483 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -110.22 128.84 55.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.468 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.53 116.34 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.687 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t -84.41 140.92 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -87.91 123.25 32.47 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.729 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.98 127.17 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.187 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -129.79 168.41 22.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.446 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -124.13 130.64 52.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.18 118.86 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.584 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.79 143.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.482 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.07 162.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.79 -104.75 0.2 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.19 160.21 24.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.714 0.292 . . . . 0.0 110.599 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -140.15 123.8 17.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.668 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.3 t -100.87 147.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.491 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.09 133.12 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t -137.68 130.51 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -104.02 126.41 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.47 138.74 51.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.404 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.59 100.98 12.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.605 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -103.35 134.86 46.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.473 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.413 ' C ' ' H ' ' A' ' 29' ' ' GLU . 1.2 p -90.32 179.87 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.52 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.95 10.5 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.413 ' H ' ' C ' ' A' ' 27' ' ' THR . 22.6 tt0 -111.46 -14.22 13.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.637 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.72 22.69 32.89 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -103.79 155.69 18.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.754 0.312 . . . . 0.0 110.471 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 7.2 p -119.7 94.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.506 ' CG2' ' H ' ' A' ' 34' ' ' THR . 35.5 m -50.79 -57.1 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.792 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.506 ' H ' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -151.12 163.49 38.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.809 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -128.44 138.15 55.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -132.8 126.4 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.16 125.81 51.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -44.19 111.13 0.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.538 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.84 ' HD1' ' HD2' ' A' ' 43' ' ' ARG . 39.9 p90 -73.32 -18.49 61.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.513 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -64.26 0.92 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.752 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.454 ' OE2' ' SG ' ' A' ' 42' ' ' CYS . 3.1 pp20? -58.47 -31.73 68.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.653 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.454 ' SG ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -77.37 -18.98 56.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.604 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.84 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 3.2 mtt180 -81.91 -33.05 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.16 -26.14 33.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.98 -21.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.537 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.42 51.08 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -52.09 15.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.805 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.88 -9.14 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.6 p -101.42 -37.75 8.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -26.64 23.52 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.11 154.11 38.26 Favored Pre-proline 0 C--N 1.331 -0.207 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.346 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -58.56 164.06 9.81 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.379 2.053 . . . . 0.0 112.012 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.18 -46.76 2.01 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.618 2.212 . . . . 0.0 112.154 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -48.01 -34.89 10.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.569 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.64 -51.27 17.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.59 -38.66 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.709 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -58.0 -44.92 87.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.652 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.53 -24.35 64.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.423 ' C ' ' SD ' ' A' ' 59' ' ' MET . 10.8 tmm? -78.19 -54.31 6.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.619 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.66 -21.75 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.768 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.6 tm-20 -66.51 -62.03 1.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.459 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -54.21 -31.01 51.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -62.45 -63.4 1.24 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.788 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.7 -29.15 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -43.15 75.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -101.59 -1.55 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.776 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.69 94.81 0.01 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.7 -147.39 4.79 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.588 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -124.26 162.82 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 0.0 110.369 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 t -144.77 133.9 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.661 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ARG . 9.3 m-20 -103.83 112.69 25.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.319 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 74' ' ' GLU . 1.9 tp -69.18 -29.9 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.354 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HZ3' ' CA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -70.11 10.81 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.635 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -166.23 1.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.58 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' ASP . 4.1 ttt-85 41.44 55.02 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.522 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -113.83 148.38 36.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.82 115.45 45.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -142.6 142.93 32.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.7 p -94.53 155.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.641 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.441 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.716 0.293 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -51.87 102.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.687 2.258 . . . . 0.0 112.074 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -166.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.672 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.85 125.55 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.483 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -87.74 152.03 22.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.45 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -136.39 140.91 43.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.426 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -109.88 85.27 2.07 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.95 133.75 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.746 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -96.35 124.42 40.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.651 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -122.05 105.16 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -94.76 134.14 33.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.739 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.64 95.1 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.207 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -137.62 149.38 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.693 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.82 129.52 75.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.689 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 51.71 -176.97 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.621 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.7 -82.32 0.08 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -89.52 166.26 13.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.346 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -149.37 111.8 4.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.84 154.86 7.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.99 140.56 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.685 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.1 t -142.68 118.56 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -83.85 126.47 32.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.457 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 mt -137.96 129.26 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.66 139.84 36.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -133.57 154.65 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.656 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 44.7 p -128.72 -72.68 0.6 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.573 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.478 ' N ' ' OG1' ' B' ' 27' ' ' THR . 1.9 mt-10 -78.32 20.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' B' ' 27' ' ' THR . 2.1 mt-10 52.17 12.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -137.8 -34.58 0.19 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -101.55 130.3 47.81 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.542 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.55 129.53 61.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.719 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.648 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.4 p -65.73 -94.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.648 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 4.2 t -135.65 137.63 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.461 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.43 143.43 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.629 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -132.51 102.15 5.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.54 150.5 38.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.656 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -72.55 119.66 17.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 0.795 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 32.8 p90 -78.15 -13.44 59.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.795 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 53.6 m-20 -77.63 -64.45 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -56.49 -34.19 66.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 99.1 m -69.59 -38.44 77.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.621 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -69.38 -48.89 59.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.62 -61.44 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.541 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.08 -20.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.618 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.11 -18.74 79.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' B' ' 49' ' ' THR . 25.9 mm-40 -86.45 -54.54 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 110.774 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.61 -10.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.687 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.436 ' H ' ' C ' ' B' ' 47' ' ' GLU . 28.9 p -110.05 -44.57 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.62 30.13 5.67 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.74 156.42 71.12 Favored Pre-proline 0 C--N 1.332 -0.189 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.92 161.87 43.91 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.333 2.022 . . . . 0.0 111.942 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.97 -48.31 0.38 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.583 2.189 . . . . 0.0 112.181 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -44.04 -49.68 8.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.718 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -52.02 -35.61 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 t -83.37 -47.39 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -45.89 -43.62 13.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.54 -62.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.994 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.4 tmm? -45.63 -44.0 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.2 p -72.93 -28.38 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.97 -62.08 1.53 Allowed 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.367 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.11 -31.68 8.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.281 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -69.58 -30.87 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.7 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.31 -20.56 62.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -81.41 -40.27 23.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -18.58 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 51.88 91.22 0.01 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.78 -123.79 2.0 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.628 ' CD1' ' N ' ' B' ' 70' ' ' VAL . 0.6 OUTLIER -153.24 140.52 19.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.61 0.243 . . . . 0.0 110.446 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.628 ' N ' ' CD1' ' B' ' 69' ' ' TRP . 47.9 t -130.53 157.78 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.497 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.5 OUTLIER -112.63 128.48 56.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.963 179.393 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' B' ' 74' ' ' GLU . 6.8 mt -84.08 -50.66 7.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.939 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 16.6 0.46 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.0 mm-40 -148.51 -10.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.554 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 41.18 60.17 2.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.67 139.45 47.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.0 mt -103.43 126.8 57.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -139.12 179.27 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.706 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 45.7 t -127.93 142.89 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.486 1.058 0 CA-C-O 120.796 0.248 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.12 134.82 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.588 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -151.6 147.54 26.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -82.49 136.62 34.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.459 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -110.29 131.09 55.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.458 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.05 105.47 17.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.1 t -84.87 129.02 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -83.0 132.83 35.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.746 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t -124.98 100.45 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.337 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 32.6 m -99.56 96.2 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.527 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.09 95.05 6.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 p -154.53 129.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 7.4 p -137.21 107.79 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.496 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 163.4 151.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.581 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.48 -164.28 32.23 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.45 -177.2 1.74 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 0.0 110.559 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -138.0 120.05 15.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.532 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.3 t -104.03 139.48 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -101.44 109.12 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.22 159.74 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -137.6 115.57 11.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.482 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.4 mt -131.42 139.3 51.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.568 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.14 137.46 41.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.41 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -133.42 147.15 51.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.6 p -105.51 -60.32 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.596 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' A' ' 30' ' ' GLY . 4.3 tt0 -98.89 15.47 25.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 60.58 2.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -110.96 -45.65 0.87 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -99.89 161.01 13.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.363 . . . . 0.0 110.591 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 11.2 p -126.83 105.47 14.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.433 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.546 ' CG1' ' H ' ' A' ' 34' ' ' THR . 7.5 p -52.82 -59.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.814 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.546 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 2.7 p -148.13 163.49 36.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.627 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.8 m -129.14 138.26 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.446 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -132.35 163.71 28.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.1 155.69 38.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.28 114.82 11.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.463 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -74.75 -14.3 60.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.36 -64.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.545 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -54.24 -33.43 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.57 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -47.27 76.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -70.45 -41.18 73.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.649 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.04 -42.66 85.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.65 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.7 mt -83.48 -20.01 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -53.39 -18.7 7.48 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -83.55 -32.2 25.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.572 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 10.3 tt0 -71.15 -28.89 64.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.635 ' HG1' ' H ' ' A' ' 50' ' ' GLY . 59.5 p -84.79 -49.83 8.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.6 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.635 ' H ' ' HG1' ' A' ' 49' ' ' THR . . . 101.98 -18.96 51.08 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.58 156.87 56.0 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.398 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -38.43 157.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.426 2.084 . . . . 0.0 111.71 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.79 -59.44 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 122.343 2.029 . . . . 0.0 112.162 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -49.13 -41.94 37.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -48.64 -33.75 10.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.54 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.3 t -79.33 -36.69 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.618 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -58.27 -54.7 44.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.47 83.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.0 tmm? -64.14 -36.97 85.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.697 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.71 -63.82 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -43.64 -38.68 3.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.364 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.6 -47.28 79.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.689 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -56.69 -51.43 68.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.539 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.92 -30.23 4.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -46.87 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.51 5.72 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.11 75.47 0.12 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.52 -154.07 6.35 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -124.97 176.61 6.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.0 t -135.32 132.77 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.71 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.27 113.04 25.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.589 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 74' ' ' GLU . 4.2 mp -76.02 -33.99 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.589 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -42.82 -20.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' LEU . 2.9 tp10 -158.19 19.98 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 42.57 89.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 78' ' ' LYS . 31.5 mt-10 -145.84 164.58 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 mt -138.75 123.41 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.651 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.24 157.85 45.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.14 139.84 18.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.538 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 111.236 0.087 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.0 96.47 0.74 Allowed 'Trans proline' 0 N--CA 1.487 1.092 0 C-N-CA 122.221 1.947 . . . . 0.0 112.198 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.22 147.34 48.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.467 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -137.6 150.65 47.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -100.37 149.07 24.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.3 -179.98 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.506 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.94 87.76 1.57 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' B' ' 10' ' ' ARG . 73.7 t -83.68 161.72 3.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.475 ' N ' ' CG1' ' B' ' 9' ' ' VAL . 3.3 tpp180 -128.01 123.36 34.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -105.93 101.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.412 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 m -93.07 139.59 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -145.69 95.12 2.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.592 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -154.41 155.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' B' ' 16' ' ' ALA . 8.5 p -131.48 123.55 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.564 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 15' ' ' VAL . . . 165.7 160.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.517 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.7 165.89 26.85 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -94.18 -168.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 110.648 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -145.98 124.25 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.75 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.74 119.4 57.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.7 t -78.38 138.62 38.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.633 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.0 t -133.52 122.11 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.475 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -81.84 104.55 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.647 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 44.1 mt -107.01 148.4 11.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.414 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.86 119.8 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -103.02 152.92 20.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.387 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -133.47 -44.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.691 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -101.17 8.87 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 53.4 60.38 3.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 169.96 -13.18 0.05 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -139.46 154.9 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.686 0.279 . . . . 0.0 110.575 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.0 p -107.56 94.77 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -43.39 -51.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.187 0.518 . . . . 0.0 110.703 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.09 163.59 38.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.53 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 p -151.22 143.2 16.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.524 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -132.8 99.61 4.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.79 138.49 39.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.637 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.48 118.1 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 1.11 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 33.2 p90 -74.75 -30.46 61.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.622 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 1.11 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 25.7 m-20 -66.84 -64.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -50.83 -31.7 17.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 52.0 m -74.79 -38.21 62.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -79.05 -55.83 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.469 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.92 -52.33 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.449 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.8 mt -74.79 -35.54 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.372 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.51 -22.85 8.42 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -77.55 -54.15 6.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.981 0.419 . . . . 0.0 110.512 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -62.37 -21.72 65.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.5 p -84.63 -39.07 19.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.612 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.36 33.6 31.41 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 mt -125.4 132.6 24.35 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.508 ' C ' ' H ' ' B' ' 54' ' ' ARG . 90.2 Cg_exo -37.99 102.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 122.225 1.95 . . . . 0.0 112.207 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -46.73 -10.76 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.165 1.91 . . . . 0.0 112.137 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' B' ' 52' ' ' PRO . 40.3 ttt85 -69.38 -54.9 12.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.227 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -66.54 -39.56 88.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -50.23 -41.97 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -64.09 -45.94 86.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.85 -21.48 64.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.674 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.8 tmm? -76.22 -58.83 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.515 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.583 ' N ' ' SD ' ' B' ' 59' ' ' MET . 2.2 p -66.09 -11.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.602 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -82.03 -56.48 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.349 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.09 -37.56 21.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -63.21 -58.15 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.553 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.53 -24.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.498 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 63' ' ' ALA . 3.6 ttp180 -75.79 -45.32 36.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -101.54 6.93 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.584 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 48.6 100.52 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.1 176.24 40.11 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.511 ' CD2' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -101.02 173.86 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.87 0.367 . . . . 0.0 110.676 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' B' ' 71' ' ' ASP . 49.3 t -135.67 162.44 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.57 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.409 ' N ' ' CG1' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -150.85 112.96 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mp -79.46 -20.08 48.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.87 -32.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.386 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.39 30.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.476 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 47.78 83.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.655 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -140.03 159.46 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 10.2 mt -143.72 107.78 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.501 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' A' ' 76' ' ' GLU . 29.5 ttmt -84.77 117.74 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.492 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.542 ' CG1' ' H ' ' B' ' 80' ' ' GLN . 2.4 t -69.92 -139.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.542 ' H ' ' CG1' ' B' ' 79' ' ' VAL . 12.8 mm-40 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.514 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 N--CA 1.494 1.516 0 CA-C-O 120.831 0.263 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.67 139.57 7.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.591 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -169.54 147.96 3.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.658 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -77.2 136.95 38.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.398 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -110.39 154.43 23.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.291 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.541 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -126.67 87.47 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.534 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.2 t -78.31 110.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.525 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -91.59 123.45 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.646 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -104.16 111.0 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.337 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 19.5 m -100.18 113.45 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.644 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.09 98.82 6.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 p -154.67 152.51 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.577 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -140.61 119.68 11.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.595 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 163.4 154.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.612 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.23 -174.26 44.36 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -168.18 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.617 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -139.37 119.51 13.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.1 t -101.65 154.62 4.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.625 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.3 t -113.92 136.92 52.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.59 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.0 t -138.59 153.56 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -126.76 103.61 7.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.703 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.0 mt -101.73 123.27 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.381 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.16 36.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -107.02 150.87 26.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.476 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.517 ' C ' ' H ' ' A' ' 29' ' ' GLU . 4.3 p -114.53 -102.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.494 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.14 19.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.5 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' A' ' 27' ' ' THR . 14.5 tt0 60.59 44.11 11.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.0 -46.67 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -139.39 155.18 47.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.562 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -107.39 114.72 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.46 -43.66 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.266 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.472 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 92.8 m -151.28 150.14 30.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.707 0.289 . . . . 0.0 110.986 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.18 109.95 27.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.463 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -82.9 170.36 15.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.751 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.44 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -156.28 20.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 38' ' ' GLU . 0.3 OUTLIER 47.04 96.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.451 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -68.94 -15.5 63.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -75.93 -63.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.485 ' OE1' ' SG ' ' A' ' 42' ' ' CYS . 1.3 pp20? -56.46 -25.53 51.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 94.1 m -74.57 -37.74 62.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -74.5 -30.2 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -75.54 -39.73 57.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.621 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -69.33 -30.42 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -49.34 -24.07 4.84 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.61 -28.7 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -81.43 -32.23 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 p -85.48 -50.01 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.89 -26.13 25.78 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -79.9 156.4 74.82 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.335 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -40.06 158.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 122.216 1.944 . . . . 0.0 111.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.57 -51.94 0.15 Allowed 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.277 1.985 . . . . 0.0 112.183 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -38.48 3.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.599 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.31 -52.58 62.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.706 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.8 t -65.22 -48.17 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.717 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -45.92 -54.79 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.727 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.67 -20.13 66.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -59.9 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.0 t -65.93 -15.25 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.799 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -75.0 -63.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.52 -47.02 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -54.51 -59.79 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.62 -23.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.526 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 63' ' ' ALA . 0.8 OUTLIER -75.47 -41.8 54.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.521 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -110.5 11.4 8.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.16 94.1 0.01 OUTLIER Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.16 -167.83 11.74 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 2.1 m95 -109.12 144.84 36.64 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -107.79 142.64 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -132.86 117.49 17.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.075 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.516 ' C ' ' H ' ' A' ' 74' ' ' GLU . 1.8 mp -84.4 -57.81 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.004 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HZ2' ' CG2' ' B' ' 15' ' ' VAL . 14.5 mmtt -66.44 6.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.2 mt-10 -138.48 -10.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 41.65 56.18 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 77' ' ' ILE . 16.3 tp10 -140.58 148.13 40.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.503 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.523 ' H ' ' CD ' ' A' ' 76' ' ' GLU . 4.6 mt -118.36 102.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -68.48 124.41 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.01 154.73 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.393 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.409 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.588 0.233 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.34 102.25 1.03 Allowed 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.675 2.25 . . . . 0.0 112.205 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.0 m -79.11 167.83 20.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.544 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -141.16 147.08 37.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.457 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -95.04 141.3 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.608 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.0 -179.37 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.501 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.12 111.89 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.485 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t -101.09 150.12 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.531 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -107.89 123.39 48.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 72.3 t -106.19 99.5 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 m -103.45 134.71 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.46 95.08 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.094 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 73' ' ' LYS . 9.3 p -93.4 140.09 17.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.477 ' CG2' ' HZ2' ' A' ' 73' ' ' LYS . 14.5 p -133.14 136.11 55.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.81 169.19 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.68 -140.92 3.73 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -171.49 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.707 0.289 . . . . 0.0 110.574 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -148.65 140.76 23.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 99.2 t -130.19 148.79 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.2 t -103.14 127.3 50.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.479 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.31 146.84 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.651 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -122.35 116.21 23.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.494 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 16.1 tt -136.68 139.83 44.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.378 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.26 152.07 37.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.725 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -104.28 165.23 11.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.318 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.527 ' C ' ' H ' ' B' ' 29' ' ' GLU . 71.7 p -122.92 -74.42 0.62 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.445 ' N ' ' OG1' ' B' ' 27' ' ' THR . 9.2 mt-10 -73.92 21.52 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.662 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' B' ' 27' ' ' THR . 2.5 tt0 49.62 19.2 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.681 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.59 -53.02 0.07 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' B' ' 28' ' ' GLU . 17.3 pt-20 -110.99 133.37 53.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.396 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.82 105.02 18.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.565 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.431 ' O ' ' CG2' ' B' ' 33' ' ' VAL . 9.7 p -122.15 50.64 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 49.3 p -150.41 90.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.597 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 p -138.32 129.88 37.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.7 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -132.6 92.55 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.708 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.75 153.85 32.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.581 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.38 116.89 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.486 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -72.72 -12.41 61.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.693 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -77.68 -64.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.678 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -52.35 -36.26 53.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 m -63.07 -50.34 70.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -70.42 -52.68 20.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.99 -44.24 4.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.448 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -84.07 -26.27 7.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.83 -27.91 14.76 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.18 -36.55 64.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.843 0.354 . . . . 0.0 110.598 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.02 -11.06 60.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.483 ' HG1' ' H ' ' B' ' 50' ' ' GLY . 69.3 p -96.76 -50.15 4.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.637 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . 0.483 ' H ' ' HG1' ' B' ' 49' ' ' THR . . . 90.81 17.55 51.3 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.5 156.19 70.86 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -34.78 99.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.947 2.431 . . . . 0.0 112.398 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -48.07 -16.14 0.54 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.196 1.931 . . . . 0.0 112.089 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -72.62 -50.08 27.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.467 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.45 -21.17 59.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.49 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -77.82 -36.59 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.608 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -61.83 -55.06 33.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.57 -36.66 79.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -55.82 -41.07 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 5.5 t -67.0 -57.92 8.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -43.38 -57.9 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.414 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.0 -44.84 7.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.982 0.42 . . . . 0.0 110.391 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -60.48 -61.91 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.506 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.55 -20.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.673 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.0 OUTLIER -75.54 -47.47 26.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.701 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -108.13 6.55 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.741 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 40.49 93.62 0.01 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.13 -168.97 17.01 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.581 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 2.5 m95 -108.65 150.1 28.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.705 0.288 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 44.4 t -128.24 134.9 64.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.728 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.92 130.08 56.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.221 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -93.0 -59.53 2.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -69.92 8.49 0.71 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.477 ' H ' ' C ' ' B' ' 72' ' ' LEU . 1.9 mt-10 -139.04 -11.56 1.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.588 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 44.61 66.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.413 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 74' ' ' GLU . 0.5 OUTLIER -146.92 150.94 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.638 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 14.3 mt -140.23 134.28 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 158.22 39.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.558 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 16.7 t -85.49 149.46 4.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.798 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 4' ' ' SER . 71.6 Cg_endo . . . . . 0 N--CA 1.485 0.99 0 CA-C-O 120.733 0.222 . . . . 0.0 112.134 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -42.69 166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.599 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -143.48 130.73 20.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -99.9 143.63 29.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.768 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.79 125.37 53.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.38 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -91.44 96.28 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.89 143.7 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.459 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -107.12 133.2 52.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 t -129.16 100.83 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 14.5 m -101.19 115.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.806 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.71 96.4 5.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.017 0.437 . . . . 0.0 110.276 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -152.3 148.6 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.743 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 106.77 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' O ' ' CG1' ' B' ' 12' ' ' VAL . . . 169.83 164.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.536 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.671 ' H ' ' NH1' ' B' ' 10' ' ' ARG . . . 162.11 -149.0 16.87 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.519 ' O ' ' NH2' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -88.23 -174.57 4.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.669 0.271 . . . . 0.0 110.571 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -145.72 150.77 36.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.69 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -135.48 147.79 28.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.488 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -101.27 134.83 43.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.577 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.0 t -142.94 139.59 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -106.62 123.71 48.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.462 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mp -127.69 126.94 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.505 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.67 117.4 33.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -96.68 164.97 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.52 -62.4 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.57 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' A' ' 30' ' ' GLY . 4.5 tp10 -77.31 10.85 2.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 48.11 13.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -143.12 -18.07 0.25 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -139.35 151.02 46.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 110.554 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 10.6 p -107.54 116.83 51.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.49 ' CG1' ' H ' ' A' ' 34' ' ' THR . 7.1 p -49.83 -55.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.713 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.49 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 28.4 m -151.29 150.5 30.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.769 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.6 m -123.88 125.24 70.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.06 172.9 6.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.27 130.89 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER -62.36 104.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.642 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.939 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 33.9 p90 -59.21 -25.64 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.55 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -71.05 -64.13 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 8.7 mm-40 -44.17 -35.29 2.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.598 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 10.9 m -76.88 -43.98 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.645 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.939 ' NH2' ' CE1' ' A' ' 39' ' ' PHE . 44.7 mtp180 -62.18 -56.73 15.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -53.28 -34.24 56.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.468 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -72.24 -30.86 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.3 -25.68 8.52 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.87 -28.29 58.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.8 0.334 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -80.83 -31.07 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.507 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.9 p -86.14 -49.81 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.743 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.77 -18.85 54.35 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.4 156.5 56.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -38.61 157.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.367 2.044 . . . . 0.0 111.851 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -71.51 -55.86 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.287 1.991 . . . . 0.0 112.03 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.76 -52.39 6.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -48.1 -33.27 7.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -81.09 -30.96 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.7 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -67.84 -54.84 15.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.5 73.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.582 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 59' ' ' MET . 9.3 tmm? -67.32 -50.91 58.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.1 t -71.83 -39.08 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.0 tm-20 -61.34 -58.71 7.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.509 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.436 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -44.98 -44.99 10.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.89 -59.4 5.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.575 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.36 -20.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' ALA . 5.3 ttt180 -77.61 -47.45 19.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.808 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.06 3.35 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.76 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 52.65 106.1 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.7 168.9 40.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.49 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -100.91 150.83 22.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.487 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.6 t -118.81 150.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.502 ' OD1' ' NZ ' ' B' ' 73' ' ' LYS . 0.9 OUTLIER -126.49 116.95 21.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.202 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.499 ' C ' ' H ' ' A' ' 74' ' ' GLU . 3.5 mp -82.7 -56.13 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -69.0 10.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.845 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 72' ' ' LEU . 6.5 mt-10 -143.35 -4.91 0.87 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.531 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 41.95 71.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.455 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -156.06 136.17 12.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.2 mt -126.33 103.1 10.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.391 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -97.67 147.05 24.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.509 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -101.78 -155.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 79' ' ' VAL . 17.2 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.632 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' B' ' 2' ' ' VAL . 7.8 p . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 111.309 0.114 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -85.07 92.51 0.7 Allowed 'Trans proline' 0 C--N 1.317 -1.092 0 C-N-CA 122.287 1.991 . . . . 0.0 112.134 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.48 147.56 25.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.24 146.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -85.09 146.27 27.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.36 134.74 52.0 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -102.34 89.94 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.3 167.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.444 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.671 ' NH1' ' H ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -136.84 123.2 20.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 t -111.29 106.25 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.673 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.445 ' O ' ' CG2' ' B' ' 12' ' ' VAL . 4.8 m -104.82 122.18 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.515 ' N ' ' OE1' ' B' ' 13' ' ' GLN . 2.5 mp0 -128.69 94.9 3.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.396 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.43 155.15 6.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.707 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.39 113.8 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.436 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 175.83 152.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.613 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.6 167.2 32.27 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . 0.511 ' CZ3' ' OE2' ' B' ' 48' ' ' GLU . 0.0 OUTLIER -65.72 -172.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.707 0.289 . . . . 0.0 110.572 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 54.4 mtm-85 -144.63 122.53 12.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 82.5 t -96.63 152.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.16 128.11 53.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.459 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 t -130.47 140.31 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.495 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -101.06 131.64 46.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.2 124.13 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.56 119.26 33.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -133.49 126.28 30.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.4 p -90.58 -151.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.504 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -96.58 -30.81 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.531 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -42.81 -31.63 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 37.46 4.68 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -139.52 155.08 47.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.799 0.333 . . . . 0.0 110.555 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.9 p -107.57 130.94 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.558 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.665 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.5 p -73.95 -97.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.431 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.665 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 1.8 t -134.82 144.08 47.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 110.469 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 m -98.49 140.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -132.81 104.62 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.98 169.07 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.729 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -91.52 123.67 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -75.76 -14.36 60.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.651 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -77.17 -51.61 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.737 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 0.8 OUTLIER -67.28 -26.05 66.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.655 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.78 -32.26 61.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -40.62 64.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.72 -29.08 62.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -74.2 -29.15 24.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.469 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.09 -23.74 48.02 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -72.73 -29.33 63.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.605 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . 0.511 ' OE2' ' CZ3' ' B' ' 18' ' ' TRP . 16.1 mt-10 -83.15 -28.26 29.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.636 ' HG1' ' N ' ' B' ' 50' ' ' GLY . 80.9 p -85.83 -49.92 7.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . 0.636 ' N ' ' HG1' ' B' ' 49' ' ' THR . . . 94.53 15.93 44.84 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.28 157.21 68.34 Favored Pre-proline 0 C--N 1.332 -0.152 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -38.74 157.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.502 2.134 . . . . 0.0 111.773 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.31 -56.04 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.131 1.887 . . . . 0.0 112.098 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -44.33 -51.03 8.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -49.14 -31.0 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.652 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 17.0 t -83.08 -48.98 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.644 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -49.34 -40.67 36.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.08 -50.85 44.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.3 tmm? -58.25 -39.12 78.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.647 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 78.1 t -79.72 -41.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.34 -51.43 66.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.197 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.18 85.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.352 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -43.94 -63.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.584 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.72 37.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -59.41 -25.93 64.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.765 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -6.22 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.645 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 41.07 90.67 0.01 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -147.11 -117.14 0.98 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.523 ' CZ3' ' OD2' ' B' ' 71' ' ' ASP . 2.9 p-90 -159.26 154.69 25.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.437 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.5 t -135.87 137.69 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.749 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.523 ' OD2' ' CZ3' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -116.31 112.68 21.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.926 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' B' ' 74' ' ' GLU . 1.0 OUTLIER -77.09 -6.87 54.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.479 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . 0.502 ' NZ ' ' OD1' ' A' ' 71' ' ' ASP . 28.7 mtmt -41.98 -24.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 0.0 110.258 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' B' ' 72' ' ' LEU . 2.3 mm-40 -168.81 17.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.345 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 66.95 94.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.579 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -159.79 132.72 6.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.665 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . 0.4 HG21 HD13 ' B' ' 77' ' ' ILE . 0.4 OUTLIER -109.7 129.06 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.442 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -138.17 165.11 27.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.646 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.89 111.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.521 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo . . . . . 0 N--CA 1.492 1.383 0 CA-C-O 120.716 0.215 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -115.15 155.9 26.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -171.7 147.45 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -84.36 147.43 27.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -110.23 178.31 4.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.1 114.43 7.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.528 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -100.9 113.58 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.5 ttp85 -92.82 123.44 36.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -110.3 113.21 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.5 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.7 m -105.82 162.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.423 ' CD ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -128.5 148.71 50.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.407 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.5 t -80.19 141.76 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.9 t -140.21 143.31 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.672 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.22 169.7 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.52 -138.31 2.65 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -86.96 171.3 10.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 110.682 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.2 mtm-85 -143.47 128.82 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.663 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.5 t -100.83 139.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.61 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.87 108.94 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -106.4 144.0 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.466 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -97.43 135.56 39.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.568 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' OG ' ' B' ' 4' ' ' SER . 4.2 mt -145.22 119.55 2.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.08 111.6 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.759 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -105.63 141.62 36.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.5 p -98.56 -157.8 0.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -96.42 -45.04 6.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -41.52 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' GLU . . . 103.15 -2.32 47.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -99.49 155.23 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.692 0.282 . . . . 0.0 110.38 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -107.54 130.67 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.565 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.668 ' CG1' ' H ' ' A' ' 34' ' ' THR . 2.4 p -59.86 -95.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.668 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 32.6 m -137.76 148.73 45.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.907 0.384 . . . . 0.0 110.578 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 m -100.14 145.01 11.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.529 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -132.67 118.06 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.524 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.5 142.65 27.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.638 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.62 118.21 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.526 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.864 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 32.6 p90 -76.01 -30.9 58.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.529 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.864 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 39.9 m-20 -51.99 -64.72 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.4 -49.32 77.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.703 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -38.91 63.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.48 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.649 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 7.0 mtt180 -67.7 -47.69 68.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.485 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -67.72 -28.73 67.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -74.4 -33.03 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.82 -29.72 4.5 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -69.75 -37.6 76.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 0.0 110.558 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.51 -31.38 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.5 p -84.87 -49.35 8.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.549 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.64 -12.13 56.51 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.89 156.62 34.93 Favored Pre-proline 0 C--N 1.33 -0.245 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.379 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -38.69 157.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.415 2.077 . . . . 0.0 111.757 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.9 -50.39 0.35 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.317 2.011 . . . . 0.0 112.053 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.8 -54.23 5.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -44.84 -34.49 2.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.0 t -83.08 -47.6 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -47.19 -46.68 24.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.577 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.37 -65.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.807 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 59' ' ' MET . 7.8 tmm? -42.95 -43.28 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.43 -33.87 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -69.26 -57.89 4.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.583 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.06 -42.75 6.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.431 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -53.14 -62.7 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.21 -20.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.671 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 63' ' ' ALA . 12.3 ttt180 -80.74 -31.4 36.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.726 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -113.39 -1.92 10.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.907 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 154.61 -97.09 0.17 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 149.33 76.58 0.02 OUTLIER Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.746 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.406 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 12.2 t-105 -161.65 135.89 6.89 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -147.13 162.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -143.01 112.78 6.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.779 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.4 mp -80.63 -26.35 37.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -58.19 -20.66 43.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.237 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -142.35 5.6 1.65 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.2 ttt85 48.68 87.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.366 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -157.37 135.24 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.59 133.47 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.423 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -138.37 175.39 9.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.018 0.437 . . . . 0.0 110.729 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.69 144.01 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.239 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.427 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.626 0.25 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.14 111.18 1.86 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.828 2.352 . . . . 0.0 112.229 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -71.07 -169.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.588 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -170.57 138.21 1.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.337 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -87.09 137.06 32.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.11 132.08 54.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.641 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.64 94.39 6.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 94.4 t -77.91 111.6 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -73.98 136.73 43.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -135.98 86.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.37 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -85.16 140.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.773 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.53 94.63 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -151.8 133.0 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.077 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 t -119.79 104.35 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.42 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.25 173.5 10.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.34 169.77 22.25 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -94.0 -172.34 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.559 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -145.64 115.22 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.37 128.07 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -78.38 139.91 38.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.46 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 74.0 t -142.76 137.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.599 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -100.75 125.14 47.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 110.352 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.3 mt -134.29 123.15 42.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.39 140.57 33.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -133.44 142.68 48.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.632 ' HG1' ' H ' ' B' ' 28' ' ' GLU . 10.8 p -106.19 -66.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.632 ' H ' ' HG1' ' B' ' 27' ' ' THR . 0.6 OUTLIER -96.68 3.98 52.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 68.96 -8.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -96.99 -15.21 39.93 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.51 160.93 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.163 -0.215 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.5 p -122.44 128.57 75.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.547 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.669 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.5 p -64.21 -97.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.366 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.669 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 54.6 m -137.02 124.03 21.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.736 0.303 . . . . 0.0 110.454 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 m -87.52 146.98 5.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -132.8 88.67 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.523 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.76 147.51 47.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.548 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.475 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 2.5 tp10 -69.09 113.21 6.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 0.443 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 45.6 p90 -74.62 -6.66 49.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.443 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 25.6 m-20 -77.61 -64.78 1.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -58.87 -38.15 78.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . 0.475 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 74.7 m -57.39 -44.64 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.618 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -56.62 8.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.665 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -55.36 -24.06 27.49 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.648 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -76.14 -28.98 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.468 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.48 -18.8 70.17 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.1 -20.26 45.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.676 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -70.81 -53.09 16.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.744 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -88.93 -34.89 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.91 33.53 10.94 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 6.2 pt -111.15 148.55 38.93 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' B' ' 54' ' ' ARG . 74.4 Cg_exo -33.49 98.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.242 0 C-N-CA 122.886 2.391 . . . . 0.0 112.488 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -49.15 -7.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.191 1.927 . . . . 0.0 112.337 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.499 ' H ' ' C ' ' B' ' 52' ' ' PRO . 29.3 ttp85 -74.01 -56.75 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.501 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -55.3 -19.21 7.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.579 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 14.3 t -74.01 -54.75 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -46.5 -39.81 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.555 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.24 -61.13 2.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.543 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.479 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.0 tmm? -46.67 -51.81 15.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.423 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.479 ' N ' ' SD ' ' B' ' 59' ' ' MET . 24.7 t -58.14 -40.63 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -67.07 -53.68 28.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.493 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.93 -28.02 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.388 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -66.03 -63.19 1.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.321 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.21 -23.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' B' ' 63' ' ' ALA . 6.3 ttt180 -73.29 -44.11 59.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.526 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -102.97 -0.74 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.541 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 42.28 95.91 0.01 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.76 -162.95 20.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -105.95 165.44 11.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -147.53 132.93 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.575 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 71' ' ' ASP . 0.3 OUTLIER -91.7 127.27 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.38 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.28 -52.46 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.647 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -81.74 27.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.723 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' B' ' 75' ' ' ARG . 2.8 mt-10 -159.32 -0.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.508 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' B' ' 74' ' ' GLU . 7.6 ptp85 33.97 47.0 0.16 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.45 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -101.38 171.0 7.85 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.349 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 3.0 mt -141.59 116.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.623 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.418 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 7.6 mmtp -105.63 154.16 20.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.322 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' B' ' 80' ' ' GLN . 1.6 p -106.95 147.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.589 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' B' ' 79' ' ' VAL . 19.9 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.493 1.485 0 CA-C-O 120.63 0.179 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.18 118.51 11.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.409 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.28 151.0 37.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -79.0 146.59 33.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.619 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.26 -178.85 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.386 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.82 117.81 6.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.635 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 t -101.55 123.09 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.476 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -86.22 123.65 31.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.765 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.78 104.42 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.222 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 32.7 m -104.3 96.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.059 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -103.64 94.2 5.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.029 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 p -155.08 144.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.07 107.24 12.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.471 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.98 168.72 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.712 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.11 166.78 17.23 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 139.58 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.658 ' CD ' ' H ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -97.16 147.83 23.68 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.98 -179.631 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 21' ' ' SER . 55.4 t -110.25 157.39 10.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.223 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.432 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 12.3 t -100.25 128.29 46.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.788 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -135.74 152.94 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.305 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -135.52 98.29 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.387 . . . . 0.0 110.643 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mt -103.69 154.3 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.457 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.15 106.27 7.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.97 145.1 25.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.52 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.533 ' HG1' ' H ' ' A' ' 28' ' ' GLU . 1.1 p -104.77 -67.78 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.533 ' H ' ' HG1' ' A' ' 27' ' ' THR . 23.9 mt-10 -94.61 15.61 17.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.668 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 55.71 27.56 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.5 -17.03 0.52 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -139.22 146.85 40.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.685 0.279 . . . . 0.0 110.474 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 7.7 p -107.57 89.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.498 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 34' ' ' THR . 27.5 m -40.95 -45.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 33' ' ' VAL . 28.4 p -148.55 155.95 41.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.427 ' CG1' ' O ' ' A' ' 35' ' ' VAL . 7.8 p -144.7 103.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.402 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -100.47 160.03 14.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.02 146.04 27.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.439 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.84 93.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.638 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 45.1 p90 -62.1 -14.16 33.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.638 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 79.2 m-20 -77.61 -64.59 1.11 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -48.98 -24.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.408 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.1 m -74.66 -40.12 61.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.455 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -69.06 -56.7 6.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.718 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -55.48 -25.69 38.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.629 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mm -80.57 -40.19 19.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.3 -18.89 0.97 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.98 -60.22 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.344 . . . . 0.0 110.654 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.31 -12.92 1.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.502 ' HG1' ' N ' ' A' ' 50' ' ' GLY . 72.9 p -102.54 -42.49 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.628 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.502 ' N ' ' HG1' ' A' ' 49' ' ' THR . . . 102.27 -22.78 36.58 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.03 155.92 57.89 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -64.25 162.82 28.52 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.184 1.923 . . . . 0.0 112.064 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' VAL . 48.1 Cg_endo -70.54 -43.75 1.86 Allowed 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.713 2.276 . . . . 0.0 112.143 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -44.11 -43.38 6.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -26.59 66.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' PRO . 58.7 t -82.67 -52.23 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -46.46 -54.74 8.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.98 64.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' ' 59' ' ' MET . 7.8 tmm? -54.52 -34.94 62.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.705 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.6 t -74.61 -64.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -43.41 -48.7 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.489 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.86 -52.48 41.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 0.0 110.456 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.9 -53.49 56.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.382 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.6 -27.71 0.32 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.356 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -45.48 50.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.364 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -96.81 6.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.444 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.39 94.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.62 -179.08 36.99 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.493 ' HE1' ' CB ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -101.03 169.17 9.13 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.523 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.25 144.47 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.872 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 75' ' ' ARG . 35.2 m-20 -118.0 113.09 21.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.317 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 74' ' ' GLU . 6.7 mp -71.44 -61.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.805 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' B' ' 14' ' ' VAL . 11.8 mmtm -71.62 40.09 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.57 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -172.6 -19.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.6 tpt180 47.1 70.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.546 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -138.95 134.4 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.684 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -111.36 123.76 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.493 ' CB ' ' HE1' ' A' ' 69' ' ' TRP . 17.3 mmtm -139.27 135.09 33.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -46.95 174.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.58 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.512 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.733 0.302 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -51.67 116.04 2.49 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.609 2.206 . . . . 0.0 112.018 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.2 t -140.4 138.36 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -155.4 150.15 26.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.433 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -77.27 141.73 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -112.99 128.87 56.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.507 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.52 121.4 42.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.539 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.8 t -106.94 111.89 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -83.29 130.23 35.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -111.44 107.45 22.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.516 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 m -102.64 156.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.793 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.33 116.62 10.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.323 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 73' ' ' LYS . 48.3 t -80.77 133.2 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.516 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' B' ' 16' ' ' ALA . 1.9 p -140.26 130.05 28.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' B' ' 15' ' ' VAL . . . 46.35 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.614 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.07 178.16 33.82 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.08 176.54 5.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.743 0.306 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 23.6 mtm105 -145.78 125.09 13.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 0.0 110.693 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 99.9 t -102.76 139.44 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.91 132.35 35.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.523 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 16.8 t -138.26 136.02 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.42 133.46 52.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.686 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 mt -140.56 126.98 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.576 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.72 121.97 44.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.576 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -107.29 151.42 25.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.558 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.526 ' HG1' ' H ' ' B' ' 28' ' ' GLU . 2.6 p -106.07 -99.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.526 ' H ' ' HG1' ' B' ' 27' ' ' THR . 2.3 mm-40 -80.45 24.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' B' ' 27' ' ' THR . 2.0 tt0 54.79 42.66 31.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.5 -22.61 0.09 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -139.28 150.17 45.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.595 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.2 p -107.55 125.97 63.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.659 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.4 p -59.44 -93.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.659 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 1.6 m -136.71 115.93 12.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.764 0.316 . . . . 0.0 110.542 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -87.66 131.5 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.652 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -132.65 102.99 5.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.44 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.97 154.31 33.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.451 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.0 103.09 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -66.96 -10.64 51.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.45 -64.28 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.49 ' OE2' ' SG ' ' B' ' 42' ' ' CYS . 0.6 OUTLIER -57.11 -23.74 49.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.71 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . 0.49 ' SG ' ' OE2' ' B' ' 41' ' ' GLU . 91.3 m -78.13 -37.3 46.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.531 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -52.4 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.454 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.2 -42.1 94.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.49 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -66.07 -25.76 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.499 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.58 -19.4 54.15 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -83.0 -52.98 6.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.749 0.309 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.82 -29.5 66.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.741 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 65.8 p -85.8 -42.81 13.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.7 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.51 -21.52 40.67 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.56 155.83 53.6 Favored Pre-proline 0 C--N 1.33 -0.248 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.44 163.08 21.8 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.175 1.916 . . . . 0.0 112.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' B' ' 56' ' ' VAL . 39.8 Cg_endo -68.99 -45.35 2.06 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.592 2.194 . . . . 0.0 112.218 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -43.92 -32.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.794 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -78.26 -36.26 47.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.639 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' B' ' 53' ' ' PRO . 19.2 t -73.22 -23.21 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -75.79 -54.66 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.45 -25.7 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.521 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 6.1 tmm? -76.57 -52.59 9.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.632 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.521 ' N ' ' SD ' ' B' ' 59' ' ' MET . 3.7 p -72.06 -17.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -74.28 -64.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.514 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.99 -48.34 16.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.452 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -46.27 -63.05 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.613 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.13 -20.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.641 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -82.76 -28.16 30.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -118.02 4.39 7.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 146.72 -101.16 0.23 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 153.05 74.44 0.01 OUTLIER Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.1 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.443 ' CD1' ' C ' ' B' ' 69' ' ' TRP . 7.9 t-105 -151.68 136.48 17.17 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -150.13 151.06 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.134 0.492 . . . . 0.0 111.299 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.439 ' OD2' ' NE1' ' B' ' 69' ' ' TRP . 2.2 m-20 -138.28 112.54 8.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.822 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' B' ' 74' ' ' GLU . 6.1 mp -76.34 -20.84 56.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.669 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -6.25 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.663 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' B' ' 72' ' ' LEU . 0.0 OUTLIER -168.15 16.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.474 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 41.24 87.89 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.758 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -144.1 125.17 14.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.602 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.28 97.61 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.673 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.469 ' NZ ' ' OE2' ' A' ' 74' ' ' GLU . 6.8 tttt -102.18 171.75 7.31 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.135 0.493 . . . . 0.0 110.728 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.45 143.97 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.315 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.673 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.486 1.087 0 CA-C-O 120.814 0.256 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -99.61 150.1 22.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.6 mtp85 -137.35 126.85 25.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -79.49 137.99 37.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.621 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 22.0 tt0 -110.24 163.38 13.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.53 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -131.97 87.2 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 67.5 t -70.67 165.1 2.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.462 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 48.9 ttp180 -131.16 123.32 28.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.435 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -110.49 114.11 46.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -109.23 149.41 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.9 98.25 3.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 110.49 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' B' ' 73' ' ' LYS . 9.2 m -83.18 149.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.522 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 m -140.33 142.59 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 50.76 -167.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.506 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.08 -174.14 36.81 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -84.21 169.94 14.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.618 0.247 . . . . 0.0 110.656 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -140.13 121.59 15.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t -105.01 133.57 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.69 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.58 140.73 38.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.639 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.34 162.55 27.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.584 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -132.03 97.36 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.59 137.56 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.94 104.6 14.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.466 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -100.73 135.01 42.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p -99.4 -164.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -102.57 19.88 18.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -110.02 -25.43 10.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.743 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.27 38.11 3.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.09 150.63 49.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 8.5 p -107.43 95.24 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.643 ' CG1' ' H ' ' A' ' 34' ' ' THR . 2.5 p -47.55 -98.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.364 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.643 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 1.1 m -125.1 163.42 22.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.46 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -135.99 130.26 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.634 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -104.3 98.59 8.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.793 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.61 169.37 13.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.403 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.476 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 4.0 tt0 -101.92 114.19 28.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.662 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 1.078 ' HD1' ' HD2' ' A' ' 43' ' ' ARG . 33.7 p90 -66.71 -26.73 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.48 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.64 -63.74 1.0 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.97 -44.74 91.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.667 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.476 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 4.8 m -62.04 -29.33 70.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 1.078 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 76.2 mtt180 -74.98 -46.2 36.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.548 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.07 -30.01 67.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -80.35 -20.2 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.473 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.32 -18.72 79.91 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -82.88 -55.94 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.425 . . . . 0.0 110.664 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -60.08 -10.36 4.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.616 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.0 p -101.98 -36.01 8.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.88 -24.2 32.87 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -87.79 156.18 52.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -66.75 162.36 37.76 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.385 2.057 . . . . 0.0 112.131 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.72 -20.2 35.31 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.639 2.226 . . . . 0.0 112.058 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -58.84 -54.61 45.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.759 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.13 -25.74 67.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.802 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.57 -41.09 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.54 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -63.64 -54.95 27.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.32 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.529 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.6 tmm? -76.93 -40.51 46.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.595 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 t -64.82 -64.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -43.29 -56.01 3.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.93 -37.19 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.482 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.51 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.463 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.82 -20.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' ALA . 17.9 ttp180 -76.04 -46.73 27.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.434 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.77 2.1 10.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.518 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.37 95.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.79 -173.74 36.12 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.522 ' CE2' ' OE1' ' B' ' 74' ' ' GLU . 10.0 p90 -101.91 165.87 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.577 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -138.84 134.5 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.744 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -105.47 113.05 26.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' A' ' 74' ' ' GLU . 1.5 mp -62.98 -55.81 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -71.42 40.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.1 tm-20 -174.68 -12.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.461 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ASP . 16.4 ttm-85 41.88 66.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -139.18 126.14 21.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.612 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.39 102.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.497 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 79' ' ' VAL . 30.8 mmtt -104.76 117.65 34.6 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -49.32 -179.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.586 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.469 ' O ' ' CG1' ' B' ' 2' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.466 0.332 0 N-CA-C 111.398 0.148 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -84.42 102.09 0.86 Allowed 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.344 2.029 . . . . 0.0 112.196 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.49 148.7 35.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.592 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -140.29 154.7 46.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -95.54 152.5 18.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 0.0 110.433 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' B' ' 8' ' ' ASP . 42.9 tt0 -137.38 158.8 43.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.609 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.413 ' N ' ' CG ' ' B' ' 7' ' ' GLU . 1.1 m-20 -124.24 108.9 12.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.486 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -90.4 135.92 25.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -94.14 133.59 37.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.617 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 t -126.39 98.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.489 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -103.5 168.89 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.634 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.51 126.88 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.534 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.35 123.43 37.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 135.56 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.43 -177.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.23 177.36 36.11 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -94.17 168.96 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.673 0.273 . . . . 0.0 110.555 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 152.46 41.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.9 t -135.8 135.56 50.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.85 135.0 33.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.62 124.72 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -100.21 133.82 44.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.584 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 pt -139.65 129.68 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.99 111.27 23.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -98.17 135.02 40.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 72.4 p -101.23 -64.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.79 20.64 2.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 53.92 61.52 3.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.34 -57.67 0.08 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -103.11 149.17 24.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.614 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.413 ' O ' ' CG1' ' B' ' 32' ' ' VAL . 8.8 p -107.57 109.6 28.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' B' ' 34' ' ' THR . 8.8 p -42.46 -50.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.467 ' N ' ' CG1' ' B' ' 33' ' ' VAL . 6.7 m -151.2 150.3 30.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 31.8 t -104.61 141.41 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.478 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -132.8 81.84 1.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.54 160.53 28.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.492 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 1.7 mt-10 -80.59 117.21 21.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -72.09 -11.66 60.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.3 -64.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.965 0.412 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -45.92 91.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.494 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 60.0 m -52.57 -28.96 23.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.681 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -55.02 6.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.504 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' B' ' 47' ' ' GLU . 8.7 mm-40 -61.36 -50.73 71.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -47.21 -29.97 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.413 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.8 -28.53 68.79 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' B' ' 44' ' ' GLU . 16.5 tt0 -77.71 -42.31 34.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.626 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -67.27 -35.55 79.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 41.5 p -87.12 -44.4 11.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.509 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.52 28.14 7.69 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 39.4 mt -125.45 132.68 24.38 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -39.58 157.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.677 1.585 . . . . 0.0 111.745 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.76 -45.27 1.09 Allowed 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.283 1.988 . . . . 0.0 112.189 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -46.5 -49.83 17.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.07 -59.03 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 t -56.64 -58.86 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -46.59 -34.92 5.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.568 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.72 -33.63 64.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.466 ' SD ' ' O ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -74.64 -47.54 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.617 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' B' ' 63' ' ' ALA . 12.9 t -51.58 -65.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -43.47 -51.98 6.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.339 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.11 -31.01 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.382 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -66.0 -61.69 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.521 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.74 -23.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.512 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' B' ' 63' ' ' ALA . 0.0 OUTLIER -75.57 -43.71 47.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.499 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -102.1 0.31 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.638 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 41.34 94.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.88 -172.25 40.49 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.49 160.18 14.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.731 0.301 . . . . 0.0 110.549 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.4 t -125.1 151.11 30.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.415 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 2.7 m-20 -121.81 115.82 23.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.449 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -74.37 -58.01 3.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.651 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 47.8 mmtt -75.04 31.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.475 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.522 ' OE1' ' CE2' ' A' ' 69' ' ' TRP . 1.8 tm-20 -162.25 -12.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.567 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 42.06 70.66 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.644 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -137.84 157.62 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.583 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 9.9 mt -138.29 118.54 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.444 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 141.13 48.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.488 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.3 175.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.545 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.528 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo . . . . . 0 N--CA 1.489 1.228 0 CA-C-O 120.802 0.251 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.19 166.46 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.715 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.84 138.15 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.483 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -80.56 144.88 32.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.806 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -136.17 145.21 45.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -110.47 123.93 50.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 60.9 t -104.04 166.61 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.479 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.466 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 4.1 ttm180 -137.25 124.8 22.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.609 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -112.17 115.3 49.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.33 96.24 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.667 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -110.62 97.14 6.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.559 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -138.37 134.19 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.636 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.438 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 1.6 m -139.77 106.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.526 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 165.16 155.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.89 177.0 32.59 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -90.37 -177.86 5.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 110.54 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.63 131.61 33.92 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.6 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.8 t -99.58 158.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.474 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.04 110.09 20.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.608 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.7 t -117.73 145.94 22.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.557 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -117.4 126.93 53.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.495 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mt -131.56 126.24 57.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.62 109.51 21.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.622 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.67 147.29 26.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.4 p -93.56 -165.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.566 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' A' ' 28' ' ' GLU . 3.5 mp0 -82.33 -22.71 35.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.53 -15.4 57.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.537 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.47 24.11 24.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -104.4 157.25 17.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.8 p -107.36 89.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -58.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.663 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 m -151.22 143.38 24.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.475 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -114.5 136.21 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.41 150.29 50.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.463 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.0 141.73 46.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.478 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 116.13 2.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.665 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CZ ' ' OD2' ' A' ' 40' ' ' ASP . 34.0 p90 -72.72 -26.59 61.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.59 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.602 ' OD2' ' CZ ' ' A' ' 39' ' ' PHE . 1.5 m-20 -67.7 -64.5 0.85 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.756 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' OE1' ' SG ' ' A' ' 42' ' ' CYS . 1.8 pp20? -53.51 -28.26 30.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 1.2 m -75.61 -36.41 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.636 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.426 ' O ' ' OE2' ' A' ' 47' ' ' GLU . 1.2 mtp85 -72.27 -48.11 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.502 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.97 -42.42 99.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.429 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.4 mm -62.26 -29.05 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -65.23 -29.94 76.56 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' A' ' 43' ' ' ARG . 2.3 mp0 -72.72 -37.64 67.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.699 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -76.52 -32.83 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 45' ' ' ILE . 2.7 p -89.47 -49.65 6.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.607 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . 100.78 31.9 5.56 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.2 mt -125.51 132.59 24.35 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -39.2 157.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.85 1.7 . . . . 0.0 111.822 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.23 -48.41 0.63 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.145 1.897 . . . . 0.0 112.129 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -51.74 -47.31 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.539 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.69 -41.36 99.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.656 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.4 t -70.87 -25.08 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.405 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -77.21 -31.45 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.616 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.78 -22.07 34.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.598 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 59' ' ' MET . 8.5 tmm? -77.84 -48.49 16.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.6 p -74.97 -28.88 21.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.438 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.9 tm-20 -62.21 -64.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.438 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -48.7 -43.49 37.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.361 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -54.32 -46.25 72.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.692 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.89 -20.13 61.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.563 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.84 -37.83 34.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.833 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.79 -9.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 159.36 -96.28 0.15 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.87 76.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.918 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.531 ' CZ2' ' OD1' ' A' ' 71' ' ' ASP . 83.6 t90 -152.88 135.51 15.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.436 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 79.4 t -155.65 149.17 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.092 0.472 . . . . 0.0 111.4 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.531 ' OD1' ' CZ2' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -145.41 111.75 5.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.551 178.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' GLU . 8.7 mp -66.45 -7.57 20.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.181 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -27.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.329 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -173.67 33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.315 179.737 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 57.24 85.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.55 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -135.53 146.53 48.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.6 mt -136.87 120.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -142.03 -171.91 3.46 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -104.54 143.73 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.46 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' B' ' 2' ' ' VAL . 7.2 p . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 120.637 0.256 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -51.62 139.81 47.0 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.573 2.182 . . . . 0.0 111.996 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.19 138.57 38.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.526 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -143.28 142.52 31.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -93.76 153.84 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.646 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -130.21 136.24 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.452 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.15 120.8 39.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.517 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 60.7 t -101.66 120.03 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.704 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -84.51 128.23 34.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.377 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -127.07 126.75 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.674 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.37 176.69 8.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -168.41 93.45 0.34 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.992 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -155.27 115.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 t -91.42 119.22 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.685 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -178.78 173.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.53 157.98 9.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 29.8 m95 -91.53 -176.27 4.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.29 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -145.48 144.91 30.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 t -139.34 144.24 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.492 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.86 149.33 23.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.427 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.83 140.27 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.626 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -115.68 97.47 6.15 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 pp -106.63 128.35 61.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.744 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.84 138.34 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.623 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -132.86 140.75 48.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.73 -161.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.412 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -100.92 22.14 12.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.671 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -110.83 -21.42 12.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.798 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.02 6.38 45.75 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.63 160.8 14.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.51 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 88.3 t -107.54 111.99 38.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.562 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.666 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.5 p -56.78 -97.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.666 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 5.0 m -143.76 118.05 9.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.811 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.19 143.75 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -132.69 94.55 3.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.77 142.0 58.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.649 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.64 119.58 2.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.456 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 0.801 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 39.7 p90 -72.56 -20.11 61.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.801 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 53.3 m-20 -71.57 -64.56 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.458 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -54.63 -44.45 73.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 23.3 m -61.26 -38.89 88.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' B' ' 39' ' ' PHE . 13.3 mmt85 -68.44 -50.85 49.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.66 -31.96 72.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.504 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' B' ' 48' ' ' GLU . 1.3 mm -76.24 -33.57 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.81 -24.45 1.89 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -76.67 -34.57 58.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 110.561 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 45' ' ' ILE . 7.1 mm-40 -72.61 -26.43 61.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -88.54 -49.05 7.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.685 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.4 -12.66 56.95 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -99.74 156.48 35.3 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -38.51 157.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.44 2.093 . . . . 0.0 111.85 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -71.21 -53.0 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.348 2.032 . . . . 0.0 112.098 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -43.95 -44.75 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -48.81 -57.89 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 59' ' ' MET . 51.1 t -60.25 -48.68 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.646 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -46.12 -42.22 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.724 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.88 -23.97 58.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.636 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -77.04 -63.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.13 -28.14 10.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -68.73 -49.19 60.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.477 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.76 -31.46 38.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -62.56 -61.76 2.21 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.449 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.84 -27.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -68.22 -44.28 76.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.596 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.54 -1.44 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.789 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 50.21 98.2 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.22 -148.35 6.5 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -134.43 171.23 14.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.745 0.307 . . . . 0.0 110.692 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' B' ' 71' ' ' ASP . 42.1 t -132.2 155.35 41.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.729 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.52 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.0 OUTLIER -136.6 112.78 9.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.423 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -80.68 -20.36 43.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -48.74 -30.77 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.617 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -156.47 30.97 0.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 42.88 87.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -138.43 153.54 48.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 9.1 mt -140.39 131.9 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.648 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -141.47 169.08 18.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.45 -162.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.572 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.484 0.959 0 CA-C-O 120.792 0.247 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -91.74 151.16 20.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.386 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -162.11 148.39 13.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -77.52 146.32 36.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.629 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -110.57 138.6 46.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.507 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.83 99.5 8.63 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.607 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.5 t -79.44 112.2 17.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.614 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 ttp-105 -76.82 123.52 26.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.605 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -115.66 108.44 25.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.147 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 26.7 m -101.16 96.06 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.897 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.458 HE22 ' CG2' ' B' ' 49' ' ' THR . 2.5 mt-30 -111.28 94.98 5.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.173 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.5 m -151.87 150.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.666 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.31 106.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 175.91 149.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.511 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.26 -156.6 21.56 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -82.9 -175.44 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.687 0.279 . . . . 0.0 110.576 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -147.72 144.19 28.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.32 143.72 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.474 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.51 132.93 35.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 t -142.89 129.91 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.649 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -94.16 141.52 28.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.693 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 mt -145.12 130.24 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.53 101.79 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.23 143.7 39.99 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.559 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -100.78 -137.71 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.589 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 30' ' ' GLY . 3.1 mt-10 -100.67 -27.79 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.481 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 0.8 OUTLIER -78.22 16.72 0.72 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.504 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . 52.65 33.89 42.51 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.92 141.61 33.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.706 0.289 . . . . 0.0 110.497 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 9.2 p -107.5 105.76 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.664 ' CG1' ' H ' ' A' ' 34' ' ' THR . 2.5 p -61.0 -95.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.664 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 59.8 p -120.88 132.6 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.584 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.55 139.68 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 143.0 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.3 142.03 41.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.38 116.49 4.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.658 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -67.71 -9.2 41.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.19 -64.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.464 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.77 -29.61 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.455 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -37.5 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.749 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.414 ' O ' ' OE1' ' A' ' 47' ' ' GLU . 58.3 mtt-85 -74.77 -56.66 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -51.71 -25.96 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.57 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -75.61 -35.83 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.595 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -58.68 -18.69 39.44 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -78.37 -32.79 49.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.828 0.347 . . . . 0.0 110.66 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 2.5 mp0 -77.46 -30.75 53.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.3 p -93.68 -50.18 5.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.87 33.69 7.69 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.717 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.38 155.19 72.04 Favored Pre-proline 0 N--CA 1.463 0.193 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -35.78 100.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.278 0 C-N-CA 122.773 2.315 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -49.54 -21.12 4.81 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.181 1.921 . . . . 0.0 112.071 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -65.53 -51.2 61.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.13 -39.87 87.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.401 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.08 -45.35 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -60.6 -42.22 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.478 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.37 -19.89 60.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.5 tmm? -82.33 -56.23 4.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.565 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.409 ' N ' ' SD ' ' A' ' 59' ' ' MET . 2.2 p -64.81 -13.71 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -81.85 -49.62 10.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.2 -47.73 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.17 -63.14 1.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.61 -24.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.479 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 63' ' ' ALA . 3.6 ttp180 -69.7 -46.83 65.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.42 14.4 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 52.23 100.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.0 167.33 39.71 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -101.11 174.38 6.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.433 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 t -140.5 134.14 33.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.819 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 75' ' ' ARG . 5.8 m-20 -107.99 113.07 25.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.29 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 74' ' ' GLU . 4.8 mp -70.45 -42.44 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -73.09 14.91 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.702 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.6 tt0 -152.03 -11.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.526 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' ASP . 6.8 mmt180 43.27 53.89 5.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.467 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -136.46 138.16 41.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.506 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.55 145.81 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 148.49 38.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.611 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.02 141.14 15.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.546 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 121.146 0.498 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.64 124.22 3.5 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.684 2.256 . . . . 0.0 112.279 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -94.83 143.9 26.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.451 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -150.71 142.4 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -97.27 152.45 18.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -110.32 159.69 17.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.88 84.99 2.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.617 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.35 120.77 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.364 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 ttm105 -98.78 123.41 43.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.813 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -105.55 102.06 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.369 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.462 ' O ' ' CG2' ' B' ' 12' ' ' VAL . 21.8 m -92.33 106.6 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.708 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.454 ' N ' ' OE1' ' B' ' 13' ' ' GLN . 1.9 mp0 -118.48 95.02 4.69 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.284 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.71 155.34 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.705 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 p -140.3 104.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.636 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 173.14 153.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.01 -162.91 27.78 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -90.65 -168.35 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.292 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -137.28 136.17 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.6 t -106.73 153.6 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 13.7 t -102.52 116.63 33.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.644 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.8 t -134.17 155.68 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -123.78 127.45 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.668 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.6 mt -136.01 126.36 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.365 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.91 152.0 21.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.654 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -133.5 160.5 37.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.541 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.21 144.6 42.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.653 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -89.68 26.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.23 13.99 24.07 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.378 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.36 26.24 55.21 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -139.57 137.13 35.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.686 0.279 . . . . 0.0 110.511 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.3 m -107.63 127.59 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.514 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.661 ' CG1' ' H ' ' B' ' 34' ' ' THR . 9.6 t -63.22 -163.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.857 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.661 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 0.0 OUTLIER -112.81 163.51 14.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.969 0.414 . . . . 0.0 110.994 -179.417 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.76 143.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.534 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -131.4 89.65 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.39 160.35 29.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.635 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.79 124.01 30.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.715 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 0.833 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 40.5 p90 -67.91 -16.48 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.73 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.833 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 16.8 m-20 -76.54 -64.14 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.639 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.488 ' OE1' ' SG ' ' B' ' 42' ' ' CYS . 1.3 pp20? -55.35 -25.58 35.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.465 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . 0.488 ' SG ' ' OE1' ' B' ' 41' ' ' GLU . 55.8 m -75.77 -31.23 59.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.457 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -81.38 -40.27 23.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -70.23 -38.61 75.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.4 mm -65.39 -24.96 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.86 -50.65 10.56 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -47.62 -23.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.492 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -79.09 -40.88 30.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.627 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.458 ' CG2' HE22 ' A' ' 13' ' ' GLN . 62.1 p -86.55 -50.03 7.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.46 33.69 5.56 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.502 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.419 ' CD1' ' NH1' ' B' ' 75' ' ' ARG . 0.7 OUTLIER -123.97 155.98 66.45 Favored Pre-proline 0 C--N 1.331 -0.202 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -35.0 99.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.893 2.395 . . . . 0.0 112.423 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -49.93 -19.9 4.39 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.228 1.952 . . . . 0.0 111.993 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -69.5 -54.57 13.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.583 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.24 -25.65 61.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -68.54 -39.47 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.591 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -65.08 -35.63 81.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.716 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.09 -11.77 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.0 tmm? -82.76 -47.77 11.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 p -75.87 -25.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -69.94 -51.33 33.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.81 -53.39 55.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.5 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -53.55 -60.54 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.536 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.43 -29.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.477 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -66.6 -42.47 86.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.357 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -103.29 -0.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.665 179.746 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 58.79 96.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.83 177.16 37.34 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.7 OUTLIER -101.17 174.1 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.374 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 t -138.06 143.52 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.933 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.0 OUTLIER -132.93 113.07 12.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.045 179.417 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -78.45 -31.67 48.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.616 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -63.11 -5.24 2.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.486 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' B' ' 76' ' ' GLU . 1.6 tt0 -148.28 -4.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.546 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' B' ' 71' ' ' ASP . 7.8 mmt180 52.01 62.26 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.48 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 74' ' ' GLU . 0.4 OUTLIER -127.88 169.23 14.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.445 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 21.4 mt -131.01 85.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.379 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 69' ' ' TRP . 0.2 OUTLIER -64.83 132.72 50.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.691 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 6.3 p -101.69 143.1 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.438 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.413 ' CG ' ' HE1' ' B' ' 69' ' ' TRP . 37.7 mt-30 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo . . . . . 0 N--CA 1.488 1.171 0 CA-C-O 120.919 0.3 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -178.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -166.41 133.51 2.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -96.41 148.83 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.35 162.75 14.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.86 96.96 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.618 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.9 t -87.95 121.42 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -89.65 123.33 33.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 t -105.99 114.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.261 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 m -98.13 134.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.29 95.13 3.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.002 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -112.43 151.74 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 p -105.58 144.9 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.458 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -38.73 141.6 0.26 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.26 -91.88 1.39 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 19' ' ' ARG . 40.2 t-105 -96.55 162.61 13.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.701 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 3.4 mtt180 -150.57 135.84 17.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 21' ' ' SER . 47.6 t -95.4 157.7 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.451 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 22.9 t -105.15 132.29 51.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.7 t -142.99 139.25 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.2 106.92 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.512 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.7 mt -107.81 135.56 46.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.84 99.15 8.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.493 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -100.44 137.61 38.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 28' ' ' GLU . 30.4 p -100.97 -66.66 0.9 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' A' ' 30' ' ' GLY . 4.3 mm-40 -87.12 21.7 2.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 59.4 2.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -136.77 18.84 3.56 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -139.48 146.57 40.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 110.443 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 7.2 p -130.65 89.21 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.406 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.505 ' CG2' ' H ' ' A' ' 34' ' ' THR . 34.9 m -51.18 -56.02 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.114 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.505 ' H ' ' CG2' ' A' ' 33' ' ' VAL . 59.5 p -147.38 163.62 35.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.38 145.15 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.48 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -132.64 116.52 16.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.691 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.46 158.18 15.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.93 127.54 33.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.635 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.866 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 32.3 p90 -78.56 -25.68 45.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.741 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.866 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.89 -64.43 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -53.63 -38.44 64.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.1 m -70.85 -25.03 62.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 39' ' ' PHE . 14.0 mmm-85 -81.63 -31.17 32.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.96 -38.1 23.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.668 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -25.13 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.498 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.9 -22.99 74.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -82.84 -31.08 28.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 1.1 mm-40 -84.09 -24.69 30.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.556 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -98.38 -47.8 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.64 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.38 32.04 5.03 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mt -125.38 125.61 25.12 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -40.55 156.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.77 1.647 . . . . 0.0 111.735 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.28 -41.6 6.71 Favored 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 122.379 2.053 . . . . 0.0 112.341 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.2 mmm-85 -53.82 -56.64 15.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.356 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.98 -40.57 85.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.15 -57.24 12.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -45.86 -43.16 13.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.71 84.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 59' ' ' MET . 4.4 tmm? -71.09 -48.94 49.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.465 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.435 ' N ' ' SD ' ' A' ' 59' ' ' MET . 97.8 t -71.99 -23.0 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -75.04 -60.59 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.88 -48.16 8.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.385 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' VAL . . . -52.52 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.692 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.73 -20.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' ALA . 31.0 ttp85 -80.83 -36.11 31.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.7 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -107.73 -2.83 10.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 155.51 -96.04 0.15 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 149.66 77.03 0.02 OUTLIER Glycine 0 CA--C 1.527 0.837 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.496 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.493 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 5.7 t-105 -159.69 136.35 9.2 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 71' ' ' ASP . 57.0 t -148.11 164.88 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 0.0 111.467 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.472 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 35.3 m-20 -143.38 113.07 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.415 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 74' ' ' GLU . 5.9 mp -75.01 -62.67 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.53 -178.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -60.2 1.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.231 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' A' ' 72' ' ' LEU . 8.3 mm-40 -131.38 -7.71 3.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.487 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 mmm-85 43.57 68.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.528 ' OE2' ' NZ ' ' A' ' 78' ' ' LYS . 7.2 mm-40 -145.79 124.36 12.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.603 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.7 mt -103.86 125.89 58.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.378 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.528 ' NZ ' ' OE2' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -147.4 -166.56 2.55 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.79 143.59 20.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.359 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.57 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.58 0.229 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -84.15 130.87 4.88 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.89 2.393 . . . . 0.0 112.244 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 54.2 p -108.97 150.99 26.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -155.76 148.37 23.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.482 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -86.33 141.77 28.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.732 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -110.32 137.83 47.51 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.466 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.96 101.9 12.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.67 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.05 112.73 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -67.62 137.26 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.2 t -140.34 91.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.454 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 m -112.12 151.44 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.59 98.2 3.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.085 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.425 ' O ' ' OE2' ' A' ' 74' ' ' GLU . 80.5 t -152.09 153.12 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.878 0.37 . . . . 0.0 110.697 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.3 142.08 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.11 -177.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.11 -63.49 0.12 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.81 -169.96 2.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.785 0.326 . . . . 0.0 110.515 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -144.1 124.98 14.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.611 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -116.75 119.43 61.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.479 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -81.99 152.47 26.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.668 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -137.86 164.24 28.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.55 110.24 9.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 mt -138.25 125.93 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.44 101.7 13.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -92.19 145.8 24.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p -100.11 -142.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 30' ' ' GLY . 9.0 mt-10 -100.68 -57.82 2.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.643 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -41.48 -22.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.739 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 28' ' ' GLU . . . 91.04 56.56 1.7 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -136.9 161.03 37.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.65 0.262 . . . . 0.0 110.631 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' B' ' 32' ' ' VAL . 8.0 p -107.4 93.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.556 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -57.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.05 163.15 39.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.602 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.71 126.08 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.461 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -132.57 94.57 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.614 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.47 146.15 36.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.463 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 1.6 tt0 -54.21 108.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.328 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 1.296 ' CD1' ' NH1' ' B' ' 43' ' ' ARG . 40.0 p90 -69.83 -18.71 63.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.733 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.18 -64.35 0.93 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.7 -23.75 44.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.662 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 99.9 m -77.85 -28.79 50.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 1.296 ' NH1' ' CD1' ' B' ' 39' ' ' PHE . 6.8 mtm180 -81.74 -29.64 32.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.406 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.422 ' O ' ' OE2' ' B' ' 48' ' ' GLU . 2.5 tt0 -81.46 -47.45 13.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.689 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -56.0 -20.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.33 -18.9 70.37 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -85.0 -20.31 30.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.602 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' B' ' 44' ' ' GLU . 0.4 OUTLIER -73.43 -41.79 62.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.667 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.5 m -92.31 -34.39 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.777 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.67 33.42 5.06 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 pt -122.53 148.34 52.67 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -59.42 163.67 12.25 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.883 1.722 . . . . 0.0 112.139 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' B' ' 56' ' ' VAL . 55.3 Cg_endo -71.66 -48.21 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.725 2.283 . . . . 0.0 112.389 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -43.71 -27.68 0.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' B' ' 75' ' ' ARG . 22.1 mm-40 -75.65 -33.7 60.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.688 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' B' ' 53' ' ' PRO . 15.7 t -80.32 -58.33 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.498 ' NZ ' ' OE2' ' B' ' 61' ' ' GLU . 23.5 tttp -45.88 -41.78 11.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.02 -39.53 83.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.786 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -73.8 -61.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 16.9 t -41.33 -70.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . 0.498 ' OE2' ' NZ ' ' B' ' 57' ' ' LYS . 33.7 mt-10 -43.46 -58.96 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.797 0.332 . . . . 0.0 110.535 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.78 -35.7 1.99 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.338 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -69.6 -59.95 2.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.583 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.39 -20.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' B' ' 63' ' ' ALA . 10.5 ttp85 -80.14 -47.3 14.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.786 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -98.7 1.16 10.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.692 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 48.08 99.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.13 175.6 42.85 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 5.6 m0 -100.95 162.66 12.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.69 0.281 . . . . 0.0 110.539 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.79 133.96 63.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.7 OUTLIER -102.1 112.93 25.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.18 179.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.419 ' C ' ' H ' ' B' ' 74' ' ' GLU . 3.2 mt -74.85 -30.82 61.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -0.53 2.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.819 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.7 tp10 -163.4 11.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' B' ' 71' ' ' ASP . 74.5 mtp180 40.83 46.4 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -107.3 179.09 4.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.09 157.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.627 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.55 146.41 28.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 3.9 t -84.63 140.16 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.572 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.616 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo . . . . . 0 N--CA 1.494 1.509 0 CA-C-O 120.881 0.284 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.91 150.82 30.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.618 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -153.78 151.78 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -102.63 153.59 19.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.94 130.51 48.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.69 97.98 8.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.649 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 t -75.04 117.57 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.436 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -97.81 123.25 41.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.52 101.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m -91.65 111.9 24.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -107.25 94.5 5.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.164 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.42 153.56 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.718 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 2.0 p -139.41 116.5 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.564 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 163.39 172.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.541 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.11 176.97 39.0 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -98.78 -176.68 3.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.821 0.343 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -144.49 118.08 9.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.9 t -103.64 147.79 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.458 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.36 140.26 38.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.593 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.3 t -142.94 145.17 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.488 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -107.07 134.96 49.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.559 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.9 mt -139.31 134.51 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.06 100.54 9.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.661 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -105.89 139.1 40.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.659 ' HG1' ' H ' ' A' ' 28' ' ' GLU . 27.5 p -100.67 -97.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.474 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.659 ' H ' ' HG1' ' A' ' 27' ' ' THR . 5.0 mt-10 -61.67 -5.04 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 28' ' ' GLU . 9.6 tt0 78.43 -6.82 1.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.96 -18.83 21.28 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -139.54 141.48 37.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.726 0.298 . . . . 0.0 110.64 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.2 p -108.07 113.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.634 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.539 ' CG1' ' H ' ' A' ' 34' ' ' THR . 7.5 p -52.62 -59.28 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.539 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -151.14 163.64 38.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.649 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.93 150.07 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.416 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -132.63 174.79 9.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.444 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.37 121.17 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.474 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 5.2 tp10 -52.34 118.07 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.53 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -76.77 -9.65 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.725 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -64.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.65 -39.06 79.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.582 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 73.0 m -61.16 -32.74 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -80.29 -55.86 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.501 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -24.46 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.3 mm -76.48 -34.12 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.81 -27.54 13.54 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -74.62 -23.46 58.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 0.0 110.548 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -86.85 -32.65 20.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.617 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.609 ' HG1' ' H ' ' A' ' 50' ' ' GLY . 66.1 p -88.06 -49.69 6.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.461 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.609 ' H ' ' HG1' ' A' ' 49' ' ' THR . . . 102.47 -16.11 55.36 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.615 ' CD1' HH22 ' A' ' 75' ' ' ARG . 0.6 OUTLIER -89.68 156.46 47.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.467 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -38.81 157.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.466 2.111 . . . . 0.0 111.929 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.33 -49.44 0.29 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.288 1.992 . . . . 0.0 111.963 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -45.7 -54.63 7.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.39 -35.11 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.587 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.65 -34.22 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -71.3 -48.65 49.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.501 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.09 68.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 60' ' ' VAL . 9.3 tmm? -75.86 -57.17 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.409 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.473 ' N ' ' SD ' ' A' ' 59' ' ' MET . 1.4 p -61.52 -14.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -77.66 -53.57 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.43 -36.8 34.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.394 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -62.76 -62.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.52 -21.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.616 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -75.0 -47.55 28.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.5 2.23 10.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.747 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 46.4 98.16 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.35 -142.34 3.37 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.467 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -138.85 174.04 10.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.564 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -149.74 150.21 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.796 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -126.58 112.74 15.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.046 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.83 -21.64 65.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -39.12 0.52 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' CD ' ' HE1' ' B' ' 69' ' ' TRP . 5.4 mt-10 -152.35 16.59 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.536 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.615 HH22 ' CD1' ' A' ' 51' ' ' ILE . 12.9 tpp180 60.1 83.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.549 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -134.62 125.81 27.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.631 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt -111.03 125.8 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.656 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -142.3 -174.95 4.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.9 p -100.77 -42.45 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.444 ' O ' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.691 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.605 0.24 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.48 161.56 14.8 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.78 2.32 . . . . 0.0 112.126 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 53.6 p -133.57 151.17 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.624 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.52 HH11 ' CD ' ' B' ' 7' ' ' GLU . 6.0 ptm180 -153.14 138.02 17.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.527 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.421 ' CD1' ' OD2' ' B' ' 8' ' ' ASP . 49.7 p90 -79.34 146.48 32.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.52 ' CD ' HH11 ' B' ' 5' ' ' ARG . 3.7 tp10 -110.24 128.22 55.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.568 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.421 ' OD2' ' CD1' ' B' ' 6' ' ' PHE . 40.9 m-20 -99.28 101.07 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' B' ' 10' ' ' ARG . 61.1 t -85.02 165.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.463 ' N ' ' CG1' ' B' ' 9' ' ' VAL . 24.0 ttm-85 -135.89 135.38 39.67 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.504 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.36 98.35 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.3 m -93.39 150.02 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.615 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -148.6 94.67 2.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.255 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -82.91 155.56 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.699 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -113.0 144.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.523 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.93 152.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.519 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.42 -109.36 0.83 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -77.55 167.07 22.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.867 0.365 . . . . 0.0 110.447 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -142.01 138.59 31.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.583 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -118.96 130.51 73.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.567 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.15 138.23 33.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.703 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 96.4 t -140.46 153.96 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.6 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -134.42 97.32 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 pt -108.43 134.81 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.39 111.53 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.616 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.18 136.04 41.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.522 ' C ' ' H ' ' B' ' 29' ' ' GLU . 40.9 p -100.3 -76.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.531 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -73.89 19.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.646 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' B' ' 27' ' ' THR . 4.9 mt-10 58.48 21.58 8.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.513 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.42 -41.74 0.05 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.7 142.86 32.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 110.714 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' B' ' 32' ' ' VAL . 11.2 p -107.49 113.15 42.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.545 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -57.92 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.667 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -151.32 147.73 27.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.572 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 t -102.92 141.45 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.669 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -132.75 82.3 1.99 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.716 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.7 151.11 34.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.517 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.8 119.94 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 1.057 ' CD1' ' NH2' ' B' ' 43' ' ' ARG . 23.7 p90 -78.11 -38.15 44.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.657 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.605 ' OD2' ' CZ ' ' B' ' 39' ' ' PHE . 1.2 m-20 -45.4 -60.23 2.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.92 -59.1 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.644 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 m -48.91 -26.59 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 1.057 ' NH2' ' CD1' ' B' ' 39' ' ' PHE . 82.8 mtt180 -81.96 -34.17 29.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.09 -25.97 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.856 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -26.46 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.902 0.382 . . . . 0.0 110.782 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.5 -18.79 66.08 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -87.77 -20.13 26.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -95.82 1.32 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 81.8 p -132.2 -25.29 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.07 -27.08 19.95 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.6 mm -60.62 133.03 91.43 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -68.95 154.24 71.18 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.428 1.418 . . . . 0.0 112.2 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -43.03 -62.64 0.41 Allowed 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.719 2.279 . . . . 0.0 113.273 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -43.14 -57.71 2.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.744 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -51.03 -56.1 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.841 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.29 -56.7 14.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.615 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' B' ' 61' ' ' GLU . 28.3 ttpt -45.93 -42.78 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -59.19 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 54.5 tpp -54.21 -44.26 71.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.732 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 4.8 t -56.12 -67.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.489 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' B' ' 57' ' ' LYS . 12.0 mt-10 -43.32 -47.81 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.268 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.29 -38.94 4.18 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.243 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -64.2 -56.45 14.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.244 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.71 -20.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' B' ' 63' ' ' ALA . 1.5 ttt85 -80.69 -47.32 14.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -100.76 3.96 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.768 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 40.81 94.09 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.49 -169.4 34.34 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 1.7 p-90 -105.62 174.41 5.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 110.334 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 71.4 t -145.39 134.97 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' B' ' 75' ' ' ARG . 52.7 t0 -110.26 112.98 25.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.907 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' B' ' 74' ' ' GLU . 0.5 OUTLIER -76.34 -43.4 41.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.052 -179.689 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -6.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.572 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' B' ' 72' ' ' LEU . 41.0 mt-10 -139.26 -12.45 1.2 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.476 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' B' ' 71' ' ' ASP . 3.3 ttt85 57.11 70.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -146.17 151.87 38.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.58 125.36 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -127.64 144.99 51.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.68 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.415 ' O ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -67.81 -176.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.591 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.506 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.485 1.018 0 CA-C-O 120.839 0.266 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.3 p -103.14 138.13 40.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.433 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -108.19 143.45 36.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -103.44 136.62 42.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.585 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 29.0 tt0 -118.03 162.86 17.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.358 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 0.4 OUTLIER -130.57 113.9 14.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.4 t -100.92 130.29 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -92.63 123.17 35.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.03 101.02 8.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.7 m -81.35 142.94 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.495 ' C ' ' HZ2' ' B' ' 73' ' ' LYS . 59.8 mt-30 -147.63 95.22 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.254 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.13 136.06 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.74 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 11.9 p -140.35 114.71 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.707 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 165.63 153.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.38 -166.41 39.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -90.18 -177.08 5.05 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.802 0.334 . . . . 0.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' CZ ' ' NH1' ' B' ' 10' ' ' ARG . 57.6 mtt-85 -135.37 150.06 49.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.491 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.417 ' CG2' ' OE1' ' A' ' 41' ' ' GLU . 86.2 t -126.92 145.25 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.405 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.2 m -100.72 109.71 21.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.39 148.28 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -133.18 112.26 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 pt -131.38 142.62 42.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.574 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.54 142.34 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -133.48 143.34 48.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.593 ' HG1' ' H ' ' A' ' 28' ' ' GLU . 19.8 p -92.37 -87.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.593 ' H ' ' HG1' ' A' ' 27' ' ' THR . 2.2 mt-10 -89.34 20.73 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 62.45 -0.36 0.53 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.673 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -104.79 -19.02 11.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -136.74 136.52 39.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.671 0.272 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 p -107.42 130.42 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.646 ' CG1' ' H ' ' A' ' 34' ' ' THR . 2.6 p -66.74 -100.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.646 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 6.1 t -122.12 144.01 49.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.627 0.251 . . . . 0.0 110.569 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.8 t -99.47 137.11 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.601 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -132.81 106.53 7.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.413 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.59 138.14 36.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.484 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 5.0 mt-10 -49.89 109.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -78.17 -16.48 57.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -74.84 -45.94 39.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.759 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.498 ' OE2' ' SG ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -75.12 -23.47 57.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.542 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.498 ' SG ' ' OE2' ' A' ' 41' ' ' GLU . 73.7 m -81.55 -18.4 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -32.62 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.591 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.9 -34.38 26.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.533 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -24.49 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.97 -32.15 79.03 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -65.52 -26.83 68.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.471 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.76 -21.2 32.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.1 p -91.75 -44.14 9.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.519 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.06 -20.01 51.95 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.41 156.31 56.67 Favored Pre-proline 0 C--N 1.33 -0.265 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -39.51 158.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.355 2.036 . . . . 0.0 111.753 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.85 -54.52 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.348 2.032 . . . . 0.0 112.053 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -45.37 -47.14 13.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.494 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -43.98 -51.88 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 59' ' ' MET . 56.9 t -56.73 -51.16 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.504 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -46.05 -53.33 10.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.52 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.3 -16.24 63.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.471 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -82.0 -51.93 7.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.749 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.2 p -76.16 -11.09 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' OE1' ' NH1' ' A' ' 65' ' ' ARG . 1.2 tm-20 -80.25 -55.19 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.451 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.89 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.446 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -50.07 -59.69 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.63 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.722 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.486 ' NH1' ' OE1' ' A' ' 61' ' ' GLU . 13.8 ttm-85 -70.07 -32.87 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.624 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ALA . 3.4 m -106.0 -7.16 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 49.43 87.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.2 -149.43 4.97 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.528 ' O ' ' CD1' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -132.8 154.9 49.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.669 0.271 . . . . 0.0 110.622 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.1 t -129.98 146.65 33.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.698 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.52 ' OD2' ' CH2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -131.19 113.28 13.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.313 179.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 mp -67.75 -58.86 3.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.584 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -75.14 47.88 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.636 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -172.67 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.418 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 56.31 66.17 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.76 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -137.61 138.27 39.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.7 mt -135.33 96.25 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.579 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 174.33 5.92 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 80' ' ' GLN . 3.1 p -102.27 157.13 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.576 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' GLY . 3.9 tt0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.525 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.67 0.272 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.36 138.53 46.61 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.622 2.215 . . . . 0.0 111.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 44.3 p -124.9 143.63 50.75 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.88 146.05 31.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.616 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -99.05 151.39 21.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.44 ' N ' ' CD ' ' B' ' 7' ' ' GLU . 4.3 mm-40 -110.39 175.41 5.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.34 86.1 1.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.531 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' B' ' 10' ' ' ARG . 58.3 t -81.4 164.85 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.557 ' NH1' ' CZ ' ' A' ' 19' ' ' ARG . 13.9 ttm180 -137.57 123.31 19.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.663 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.74 105.8 19.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 16.1 m -99.25 151.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.717 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.97 95.32 2.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 p -154.18 154.09 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.22 107.73 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.74 169.54 2.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.54 166.14 26.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -96.97 -169.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -149.28 154.26 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -132.1 155.05 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.637 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 18.6 t -105.42 115.74 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.438 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.64 143.82 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.353 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -109.61 127.75 54.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.618 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -133.33 124.32 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.457 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.97 134.69 44.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -133.41 126.31 30.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.6 p -76.66 -179.15 5.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -88.33 20.67 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -117.11 26.5 9.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.719 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 54.75 11.83 3.14 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -99.58 145.85 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.508 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.8 p -107.57 120.8 59.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.493 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.654 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.4 p -61.54 -96.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.654 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 6.6 m -146.86 136.54 23.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.782 0.325 . . . . 0.0 110.691 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -79.34 130.85 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.451 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -132.59 99.12 4.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.592 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.66 136.85 39.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -41.77 120.13 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.434 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -76.26 -10.12 59.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -75.57 -64.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.718 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -61.33 -46.41 90.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 93.8 m -53.94 -36.91 63.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.559 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -80.37 -50.6 9.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.391 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.48 -26.07 53.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.489 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 26.9 mt -74.05 -44.11 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.545 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' B' ' 50' ' ' GLY . . . -54.98 -22.9 29.5 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -77.06 -34.13 57.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 110.613 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -83.5 -25.43 31.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.575 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -100.03 -37.38 9.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' B' ' 46' ' ' GLY . . . 102.42 -26.88 22.67 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.2 mm -60.36 132.43 90.57 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -39.93 157.41 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.223 0 C-N-CA 121.795 1.663 . . . . 0.0 111.795 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.52 -57.04 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.265 1.977 . . . . 0.0 112.128 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -45.48 -56.84 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.456 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -46.77 -59.25 3.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.705 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 83.8 t -48.09 -49.92 11.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.634 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -51.04 -30.98 17.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.81 -24.05 33.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.586 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' B' ' 59' ' ' MET . 7.5 tmm? -74.64 -56.63 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.53 -34.61 70.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.755 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' B' ' 62' ' ' ALA . 4.6 tm-20 -57.97 -60.31 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.352 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.442 ' N ' ' CD ' ' B' ' 61' ' ' GLU . . . -48.95 -31.74 7.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.169 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -70.01 -27.02 64.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.445 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 61' ' ' GLU . . . -74.69 -21.76 59.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.323 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -79.32 -38.52 35.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.771 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.64 -25.74 3.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 66.44 102.51 0.02 OUTLIER Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.04 -162.03 25.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -108.54 163.28 13.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.765 0.317 . . . . 0.0 110.457 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.6 t -144.83 133.7 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.33 112.87 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.078 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.546 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 tp -71.36 -41.81 69.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.599 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . 0.495 ' HZ2' ' C ' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -71.93 32.12 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.192 0.52 . . . . 0.0 110.901 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.546 ' H ' ' C ' ' B' ' 72' ' ' LEU . 23.4 tt0 -173.03 -18.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 ttp85 63.72 47.19 3.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' B' ' 74' ' ' GLU . 0.6 OUTLIER -103.77 165.83 10.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.619 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 7.6 mt -144.45 102.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.433 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 3.7 mmtm -99.37 164.36 12.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.528 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -101.49 -152.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.704 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.488 1.157 0 CA-C-O 120.69 0.204 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.71 155.61 18.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -166.34 147.06 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.515 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -87.64 153.11 21.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.524 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -124.28 151.28 44.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -113.96 115.04 27.01 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.683 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.08 167.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.473 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -129.4 128.06 42.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.592 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 t -123.78 138.13 54.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 32.6 m -118.63 95.98 4.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.713 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.432 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -109.86 95.27 5.49 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.478 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.6 t -153.65 153.49 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 9.9 p -140.34 111.22 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.501 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 169.31 155.98 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 173.74 174.36 40.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -77.3 -168.19 1.07 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.773 0.32 . . . . 0.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -135.27 146.52 48.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.0 t -134.04 142.85 40.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.68 143.23 31.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 t -143.02 137.92 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.485 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -107.43 118.01 35.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.641 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.5 mt -115.13 121.53 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.29 120.9 41.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.724 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.64 168.76 9.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.504 ' C ' ' H ' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -135.75 -87.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' A' ' 30' ' ' GLY . 5.8 mm-40 -75.47 25.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 27' ' ' THR . 11.9 tt0 50.15 14.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -145.53 4.09 1.23 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -138.21 136.13 36.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.747 0.308 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 p -107.49 93.88 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.578 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.546 ' CG2' ' H ' ' A' ' 34' ' ' THR . 34.3 m -52.67 -59.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.546 ' H ' ' CG2' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -151.16 163.47 38.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.755 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.9 m -144.35 119.13 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.513 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.1 155.3 17.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.57 147.87 45.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.489 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.3 mm-40 -57.46 116.01 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.482 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 1.004 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 34.5 p90 -80.64 -17.96 49.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 1.004 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 3.4 m-20 -77.66 -64.36 1.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.645 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -57.8 -31.81 66.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 22.3 m -66.26 -45.61 79.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.676 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLY . 6.4 ttm180 -78.21 -50.02 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -42.91 -33.64 0.82 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.513 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.6 mt -84.88 -31.12 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.601 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -46.51 -29.02 3.73 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.71 -30.83 63.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 0.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ILE . 51.5 mm-40 -82.65 -16.64 47.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.519 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.6 p -93.6 -50.16 5.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.593 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.45 18.64 54.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.45 155.89 71.16 Favored Pre-proline 0 N--CA 1.463 0.218 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -34.99 99.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 123.027 2.485 . . . . 0.0 112.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.0 -15.16 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.195 1.93 . . . . 0.0 111.933 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -67.47 -56.36 9.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.456 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -45.99 -53.7 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.692 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.5 t -43.91 -54.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.642 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -49.36 -40.52 35.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.461 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.99 -26.41 36.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.441 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -72.32 -56.18 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.454 ' CG1' ' H ' ' A' ' 61' ' ' GLU . 8.8 p -52.49 -53.98 17.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.441 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' H ' ' CG1' ' A' ' 60' ' ' VAL . 63.5 mt-10 -43.46 -48.63 7.26 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.252 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 65' ' ' ARG . . . -50.42 -47.98 56.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.254 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -43.86 -62.81 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.381 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.12 -20.53 2.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.619 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 62' ' ' ALA . 23.6 ttm-85 -84.64 -28.07 26.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.973 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.68 14.66 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.718 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 133.74 -107.94 0.71 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 169.04 67.93 0.03 OUTLIER Glycine 0 CA--C 1.532 1.148 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.533 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -161.38 135.01 6.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.89 135.95 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.268 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 76' ' ' GLU . 1.1 m-20 -120.59 113.83 20.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.219 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.453 ' C ' ' H ' ' A' ' 74' ' ' GLU . 5.1 mp -82.79 -53.12 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -70.59 7.81 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.4 mt-10 -141.8 -10.07 0.91 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.679 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 50.13 59.51 4.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.485 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' O ' ' OD2' ' A' ' 71' ' ' ASP . 3.6 mm-40 -138.14 156.67 47.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.1 mt -131.53 131.83 62.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -138.06 -177.64 4.92 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.587 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.1 t -110.14 -82.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.891 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.591 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.607 0.242 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -51.75 167.44 0.43 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.641 2.227 . . . . 0.0 112.154 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -167.4 154.47 8.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -147.53 135.9 21.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -77.48 145.25 37.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.571 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -134.93 132.05 38.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' B' ' 8' ' ' ASP . 0.2 OUTLIER -96.6 156.84 16.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.65 145.83 34.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.47 123.32 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -113.79 115.04 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -122.7 136.11 60.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -141.48 97.3 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.402 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.39 155.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.448 ' O ' ' CB ' ' B' ' 16' ' ' ALA . 2.3 p -138.16 144.39 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.506 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' B' ' 15' ' ' VAL . . . 77.05 159.67 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.586 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.14 -62.66 0.03 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.36 -171.87 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.543 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -142.43 138.92 31.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.712 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.1 t -136.36 141.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.562 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.28 152.8 19.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.589 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 t -136.1 165.09 30.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.365 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -133.9 120.05 19.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 mt -132.19 151.36 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.99 107.47 6.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.534 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -84.43 162.27 20.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.568 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.4 p -137.14 -61.68 0.65 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' B' ' 29' ' ' GLU . 28.4 mt-10 -82.39 0.29 42.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' B' ' 28' ' ' GLU . 8.5 tt0 77.2 18.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -155.16 -38.54 0.02 OUTLIER Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.17 149.33 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.722 0.296 . . . . 0.0 110.64 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' B' ' 32' ' ' VAL . 13.2 p -107.54 111.43 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.56 ' CG1' ' H ' ' B' ' 34' ' ' THR . 7.5 p -52.78 -59.6 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.952 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.56 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 98.7 m -151.38 163.32 39.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.737 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' B' ' 34' ' ' THR . 89.3 t -136.01 135.23 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.523 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -132.88 87.61 2.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.479 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.13 147.99 51.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.635 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.18 106.49 0.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -71.2 -17.09 62.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.738 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.6 -64.2 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.483 ' OE2' ' SG ' ' B' ' 42' ' ' CYS . 1.5 pp20? -54.56 -26.94 35.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . 0.483 ' SG ' ' OE2' ' B' ' 41' ' ' GLU . 1.3 m -75.19 -43.26 53.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.712 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -66.79 -44.9 80.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.579 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' B' ' 44' ' ' GLU . 0.4 OUTLIER -67.66 -37.69 82.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' B' ' 41' ' ' GLU . 1.4 mm -63.28 -55.26 24.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.34 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' B' ' 50' ' ' GLY . . . -47.69 -18.86 0.73 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -81.36 -41.65 21.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.692 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.91 4.8 24.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.583 ' HG1' ' N ' ' B' ' 50' ' ' GLY . 29.1 p -130.83 -40.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . 0.583 ' N ' ' HG1' ' B' ' 49' ' ' THR . . . 102.28 -25.53 27.4 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.8 mm -55.47 128.86 68.8 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -42.04 157.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.749 1.633 . . . . 0.0 111.619 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.23 -54.8 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.322 2.014 . . . . 0.0 112.077 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -51.18 -54.84 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.444 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -51.01 -42.11 60.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.615 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.1 t -67.92 -47.84 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 110.505 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -47.36 -44.61 24.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.99 -58.74 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' B' ' 59' ' ' MET . 10.2 tmm? -44.19 -32.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.504 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.7 t -82.5 -51.49 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.797 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.74 -44.49 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.34 97.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.402 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -47.45 -63.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.67 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.32 -26.92 32.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.717 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -63.95 -28.7 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.665 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.53 -2.53 6.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 51.76 95.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.46 -172.62 29.05 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -107.61 166.61 10.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.776 0.322 . . . . 0.0 110.622 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.8 t -142.85 133.16 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.2 OUTLIER -109.55 113.02 25.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.501 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -79.65 -54.17 6.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.74 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -58.82 -2.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.686 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.6 mt-10 -136.99 -8.91 1.8 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' B' ' 71' ' ' ASP . 5.3 mtt-85 51.99 79.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.89 145.79 28.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.571 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 16.5 mt -139.25 116.23 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.481 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -137.93 163.55 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -179.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo . . . . . 0 N--CA 1.486 1.047 0 CA-C-O 120.631 0.18 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.99 175.74 0.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.385 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -167.36 144.11 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -99.65 153.56 18.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.568 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -127.45 127.03 43.41 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -102.85 95.38 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.775 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.16 124.79 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.497 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -97.42 123.39 41.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.71 107.35 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.342 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 25.4 m -97.85 103.89 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.763 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.672 ' H ' ' NE2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -113.69 95.35 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.083 0.468 . . . . 0.0 110.347 179.58 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -152.99 151.86 11.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.8 m -140.44 116.98 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.433 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.409 ' O ' ' CG1' ' B' ' 12' ' ' VAL . . . 172.64 157.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.18 -169.52 40.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -83.91 -175.81 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.615 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -146.0 112.6 5.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -96.16 140.41 17.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.13 132.05 34.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.645 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 t -142.44 126.62 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -102.35 120.7 40.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.784 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 mt -124.75 125.35 69.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.21 112.28 24.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.99 146.35 30.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.517 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.0 p -105.48 -169.68 1.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.8 9.51 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -96.63 -27.86 14.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.469 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.39 38.15 2.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.19 152.86 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.519 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 p -107.36 128.08 62.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.682 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.657 ' CG1' ' H ' ' A' ' 34' ' ' THR . 2.4 p -66.97 -95.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.507 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.657 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 19.7 m -138.87 121.77 16.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.803 0.335 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 m -74.53 146.9 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -132.67 127.14 34.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.475 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.76 144.33 51.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.456 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.7 tt0 -65.11 121.57 15.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.669 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 45.2 p90 -74.12 -14.08 60.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.678 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.576 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -76.45 -64.57 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -53.41 -31.62 45.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.518 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 92.6 m -66.98 -50.75 61.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -49.91 36.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.92 -31.42 28.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.664 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -73.78 -40.67 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.82 -31.29 38.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.73 -20.28 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.63 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -87.12 -36.02 18.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.688 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.2 p -88.39 -50.19 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.06 33.98 5.83 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.69 155.65 69.36 Favored Pre-proline 0 N--CA 1.464 0.227 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -35.44 99.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.892 2.395 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.2 -23.06 12.31 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.303 2.002 . . . . 0.0 112.017 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -66.57 -52.63 43.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -58.8 -34.89 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.9 t -52.8 -56.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -51.22 -54.84 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.66 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.64 84.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.489 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 59' ' ' MET . 8.5 tmm? -64.03 -45.01 90.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.25 -64.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.665 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -43.4 -56.71 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.7 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.99 -33.96 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.417 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -68.35 -58.51 4.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.729 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.04 -20.46 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.61 ' HE ' ' CA ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -78.99 -41.9 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.916 -179.704 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.14 -6.44 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.878 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 156.11 -94.48 0.14 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 150.96 72.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.227 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.403 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 8.5 t-105 -160.34 135.97 8.24 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.7 t -148.04 146.06 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 111.177 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -123.71 112.41 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.782 179.224 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' A' ' 74' ' ' GLU . 7.6 mp -77.63 -22.52 50.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.609 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -47.82 -13.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 72' ' ' LEU . 1.8 tm-20 -173.75 14.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 57.12 97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.642 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -145.99 117.29 7.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.407 HG22 HD11 ' A' ' 77' ' ' ILE . 8.1 mm -84.02 103.95 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -113.24 165.46 12.39 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.163 0.506 . . . . 0.0 110.671 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.11 143.06 25.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.219 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.492 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -83.42 137.83 8.3 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.646 2.23 . . . . 0.0 112.174 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 82.5 p -97.24 147.57 23.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -139.5 139.57 36.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -100.56 145.64 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.606 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -117.83 128.81 55.21 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.509 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.402 ' OD2' ' N ' ' B' ' 8' ' ' ASP . 3.9 m-20 -100.17 88.69 3.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.659 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.24 126.65 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -101.69 123.3 45.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.773 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.4 t -112.08 106.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.626 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 16' ' ' ALA . 2.4 m -103.06 142.1 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -145.04 94.42 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.308 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.4 152.2 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.662 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.58 106.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.601 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 169.62 147.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.16 -166.36 31.47 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -77.45 -177.18 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.624 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -151.36 119.68 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.707 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.46 153.54 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.0 t -102.86 125.76 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.491 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.05 142.45 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.587 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -102.67 129.71 49.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.556 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.8 mt -135.35 127.37 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.3 104.22 15.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -100.66 128.91 46.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.592 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.547 ' HG1' ' H ' ' B' ' 28' ' ' GLU . 3.4 t -88.62 -169.3 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.569 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.547 ' H ' ' HG1' ' B' ' 27' ' ' THR . 3.3 tp10 -80.06 26.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' B' ' 27' ' ' THR . 1.0 OUTLIER -124.75 15.7 8.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.623 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.87 17.32 1.46 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -102.92 159.41 15.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.775 0.321 . . . . 0.0 110.502 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' B' ' 32' ' ' VAL . 7.4 p -107.51 96.74 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -59.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.719 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.23 163.5 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.709 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.23 141.93 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.379 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -131.47 98.41 4.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.6 158.54 29.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.76 122.17 28.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 0.67 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 32.6 p90 -77.64 -9.52 59.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.67 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 14.5 m-20 -77.68 -64.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -57.36 -35.77 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.602 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -46.31 90.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -71.8 -34.3 69.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.58 -54.74 31.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.521 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.416 ' C ' ' N ' ' B' ' 47' ' ' GLU . 85.8 mt -68.73 -28.54 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.42 -18.96 0.38 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' B' ' 45' ' ' ILE . 0.5 OUTLIER -77.64 -42.43 34.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.757 0.313 . . . . 0.0 110.506 -179.833 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.53 -22.51 66.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 19.5 p -84.69 -50.08 7.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.64 -9.97 68.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.2 156.33 35.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.357 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -38.85 158.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.213 1.942 . . . . 0.0 111.806 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -71.94 -49.03 0.33 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.249 1.966 . . . . 0.0 112.056 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -47.64 -54.71 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.528 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -44.53 -38.36 4.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.573 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.26 -54.19 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.649 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -45.98 -41.3 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.93 91.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.626 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -69.44 -42.1 75.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.766 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 68.2 t -73.45 -30.91 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.662 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.48 -57.83 5.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.484 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.64 57.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -55.5 -62.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.37 -33.81 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.608 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -60.79 -44.0 97.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.463 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -1.72 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.51 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 46.1 96.36 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.57 -174.89 33.95 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -104.68 160.32 15.06 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.029 0.442 . . . . 0.0 110.406 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 22.3 t -137.47 148.88 25.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.6 113.06 20.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mp -67.83 -61.04 2.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.694 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -75.45 49.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.604 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -177.88 -23.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.508 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 57.16 75.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.654 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -138.06 159.19 42.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.467 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mt -138.27 103.64 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.667 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . 0.445 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 2.8 mmtm -97.67 158.67 15.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.481 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 13.1 t -101.12 141.42 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.637 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 N--CA 1.488 1.183 0 CA-C-O 120.811 0.255 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.84 153.25 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -138.37 120.97 16.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.673 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -86.56 136.83 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -110.3 128.97 55.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.487 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.487 ' OD1' ' NH1' ' B' ' 19' ' ' ARG . 2.0 m-20 -101.66 100.1 10.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.639 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -79.99 160.68 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ttm105 -134.94 122.98 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -112.54 111.26 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.12 148.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.749 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.03 95.55 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.37 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.23 148.4 22.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.586 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.8 144.47 17.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.515 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.02 159.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.43 -92.1 0.33 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -70.49 169.03 14.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.773 0.321 . . . . 0.0 110.646 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.34 115.31 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.525 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.0 t -95.08 158.4 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.508 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 t -127.62 120.99 29.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.691 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 43.8 t -110.07 157.39 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.441 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 46.5 mttp -132.64 110.72 10.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.451 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -99.16 141.58 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.604 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.92 101.77 12.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -95.26 134.32 38.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.501 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.55 -61.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.611 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -94.75 18.14 12.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.513 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 54.52 14.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.1 -44.43 0.18 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.35 149.17 27.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 8.1 p -107.38 97.57 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.501 ' CG1' ' H ' ' A' ' 34' ' ' THR . 7.2 p -49.15 -56.74 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.501 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 3.4 m -151.28 157.55 42.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.816 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.45 148.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.356 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -132.93 114.6 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.531 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.09 149.47 21.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.48 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 12.1 tt0 -64.92 99.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.562 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.719 ' CZ ' ' OD2' ' A' ' 40' ' ' ASP . 24.7 p90 -58.6 -41.22 85.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.6 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.719 ' OD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -46.89 -56.31 6.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.648 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.437 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 4.4 tm-20 -56.93 -60.07 4.12 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.138 0.494 . . . . 0.0 110.492 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 4.5 m -41.16 -38.09 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.974 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -38.8 29.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.698 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -66.72 -60.78 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -49.81 -31.89 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.424 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.61 -19.08 18.23 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -84.02 -39.05 20.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 3.0 mm-40 -74.0 -24.72 59.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.594 ' HG1' ' N ' ' A' ' 50' ' ' GLY . 70.4 p -84.98 -49.6 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.594 ' N ' ' HG1' ' A' ' 49' ' ' THR . . . 95.45 15.72 42.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.5 156.87 69.85 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -39.85 144.91 0.31 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.304 2.003 . . . . 0.0 111.928 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.7 -5.15 15.76 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.252 1.968 . . . . 0.0 112.456 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -57.04 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.359 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.01 -23.05 30.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.711 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 t -83.04 -52.4 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.641 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' C ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -45.53 -52.06 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.373 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.424 ' N ' ' HZ3' ' A' ' 57' ' ' LYS . . . -68.15 -56.14 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.698 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 59' ' ' MET . 11.3 tmm? -41.29 -51.48 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.36 -51.78 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -53.35 -48.82 68.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.421 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.68 -37.4 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.485 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -59.93 -63.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.13 -21.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -73.51 -47.26 42.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -106.82 2.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.805 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 45.47 97.95 0.01 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.85 -148.54 5.22 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -133.58 161.38 34.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.91 154.05 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.49 112.31 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.078 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.5 mp -74.86 1.04 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.965 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -40.83 -26.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.489 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LEU . 20.2 pt-20 -173.39 30.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.337 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 60.64 79.46 0.24 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.646 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.43 150.24 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.93 121.35 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.17 132.58 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -89.12 -163.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.637 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.533 0.3 0 CA-C-O 120.578 0.228 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -51.1 145.18 26.44 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.437 2.091 . . . . 0.0 112.179 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.6 p -132.69 126.3 32.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.454 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.1 140.27 38.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.552 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -99.18 136.67 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.41 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.77 167.07 11.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.54 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -138.39 143.96 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.91 117.95 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -89.89 146.27 24.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.21 130.17 51.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.533 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.462 ' O ' ' CG2' ' B' ' 12' ' ' VAL . 32.3 m -134.12 98.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.701 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -105.15 94.72 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.228 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -152.14 152.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.583 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.69 118.75 56.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.443 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.17 173.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.72 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.57 159.57 7.98 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -98.57 -168.57 1.66 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.448 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.487 ' NH1' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -145.68 154.39 42.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 51.5 t -134.27 148.1 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.348 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -102.12 141.02 35.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.521 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 5.8 t -139.33 126.13 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.569 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -101.26 111.43 23.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.65 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -118.03 137.78 50.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.444 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.67 117.4 33.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -107.15 141.92 37.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.522 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p -96.63 -165.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -88.39 -48.18 7.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.619 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -48.75 -23.77 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.63 19.49 17.73 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -101.37 155.85 17.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 8.7 p -107.55 127.69 63.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.656 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.5 p -75.49 -97.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.656 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 2.2 m -134.72 143.5 47.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.54 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -98.59 136.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.7 96.49 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.69 142.98 38.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -61.71 106.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' PHE . . . . . 1.057 ' HD1' ' NH1' ' B' ' 43' ' ' ARG . 47.0 p90 -65.0 -4.41 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 2.6 m-20 -76.83 -64.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.661 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.59 -25.53 68.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -40.65 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.636 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . 1.057 ' NH1' ' HD1' ' B' ' 39' ' ' PHE . 6.2 ttm-85 -65.88 -56.43 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.94 -25.57 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.2 mm -76.86 -24.65 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.42 -24.14 61.18 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . 0.426 ' OE2' ' N ' ' B' ' 47' ' ' GLU . 4.7 mp0 -79.05 -20.13 49.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.527 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -87.19 -36.07 18.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.66 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 53.6 p -84.94 -46.74 10.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.43 -21.78 39.9 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.32 156.42 62.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -38.79 157.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.43 0 C-N-CA 122.37 2.047 . . . . 0.0 111.863 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.48 -56.15 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.345 2.03 . . . . 0.0 112.11 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -43.9 -52.07 7.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.01 -42.9 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.632 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.3 t -65.89 -42.61 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -59.45 -40.83 88.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.776 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.11 -59.96 2.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.638 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -51.71 -43.84 62.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -72.61 -39.35 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.76 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.16 -54.87 42.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.884 0.373 . . . . 0.0 110.355 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.78 -51.06 54.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.482 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -43.75 -55.07 4.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.616 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.71 -30.34 21.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.538 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -72.17 -31.56 66.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.784 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 m -103.78 -9.81 9.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.712 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 54.29 81.3 0.06 OUTLIER Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.422 ' C ' ' CE3' ' B' ' 69' ' ' TRP . . . -161.31 -174.92 31.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' TRP . . . . . 0.556 ' CD2' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -105.98 170.09 8.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 110.494 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.0 t -140.02 140.66 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.53 113.09 25.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 mp -72.14 -51.44 21.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.537 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -74.32 34.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.3 mm-40 -170.59 -10.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.541 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 28.0 mtt85 48.21 80.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.88 0.371 . . . . 0.0 110.635 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -145.55 161.61 39.37 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.474 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -133.22 76.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.487 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 113.38 1.02 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.626 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' B' ' 80' ' ' GLN . 1.3 p -100.66 142.62 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.424 ' CB ' ' O ' ' B' ' 79' ' ' VAL . 2.1 tt0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.579 0.228 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -51.92 103.35 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.687 2.258 . . . . 0.0 111.971 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.26 133.2 33.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.627 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.44 ' NH2' ' OE2' ' B' ' 26' ' ' GLU . 5.7 mmm-85 -105.2 146.87 28.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -124.56 149.6 46.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.548 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.39 131.75 51.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.406 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.5 87.03 5.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 59.8 t -76.0 165.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 1.6 ttm180 -137.6 133.88 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.682 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.21 109.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.323 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 m -102.93 125.81 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -126.19 100.39 6.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' O ' ' OE2' ' B' ' 74' ' ' GLU . 2.6 t -146.08 155.45 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.674 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 15' ' ' VAL . 11.7 p -134.6 115.81 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 172.29 -177.38 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.04 135.61 2.63 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -93.6 149.78 20.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.671 0.272 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -106.54 150.65 25.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.536 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.34 141.47 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.07 136.57 42.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.5 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -136.49 141.59 40.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.8 126.01 49.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.5 mt -133.71 115.34 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.32 138.15 31.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.56 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -133.36 158.52 42.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.44 ' C ' ' H ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -133.82 -73.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.675 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -76.86 15.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.603 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.1 mm-40 54.45 30.62 13.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.479 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.42 -33.94 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -101.89 133.32 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.69 0.281 . . . . 0.0 110.597 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.44 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 12.0 p -107.41 109.17 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.558 ' CG1' ' H ' ' A' ' 34' ' ' THR . 7.4 p -53.81 -59.91 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.558 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -151.27 163.58 38.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.641 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.4 m -138.66 115.73 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.409 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -113.39 139.84 48.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.758 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.78 146.05 35.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -59.69 107.94 0.67 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.568 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -70.19 -16.6 63.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.449 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.2 -63.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.489 ' OE1' ' SG ' ' A' ' 42' ' ' CYS . 1.3 pp20? -55.77 -23.16 28.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.608 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.489 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 48.0 m -77.31 -39.52 47.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -34.49 76.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.51 -28.34 56.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.5 mm -74.79 -24.71 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.592 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.28 -27.5 65.5 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.09 -30.78 68.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 110.468 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.63 -32.3 32.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.595 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -85.21 -50.03 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.5 -18.85 54.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -85.8 156.65 58.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -38.7 157.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.319 2.013 . . . . 0.0 111.884 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.89 -47.91 0.54 Allowed 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.277 1.985 . . . . 0.0 112.254 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.9 ttp85 -52.17 -48.89 64.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.601 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -47.6 -36.34 10.59 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.68 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.63 -37.05 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -61.63 -54.01 48.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -25.8 67.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 59' ' ' MET . 10.3 tmm? -78.75 -51.16 10.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.5 t -74.09 -13.36 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -79.84 -62.33 1.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.35 -35.59 39.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -67.42 -38.76 85.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.565 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.19 -21.74 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -78.19 -41.89 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.567 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -100.25 -0.36 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.492 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 48.74 99.07 0.01 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.97 178.92 36.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.517 ' CZ2' ' O ' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -102.83 174.23 5.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.939 0.399 . . . . 0.0 110.392 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 t -142.84 143.94 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.7 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.49 ' OD2' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -127.95 112.85 15.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.384 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mp -76.49 -16.32 59.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -53.67 -23.97 12.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.24 20.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.456 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 46.0 75.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -133.03 165.4 24.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.58 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.0 mt -144.57 130.6 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.499 ' CB ' ' HE1' ' A' ' 69' ' ' TRP . 16.8 mmtm -137.54 160.15 39.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.517 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 1.4 t -75.26 159.5 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.538 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.112 0.482 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.65 161.58 14.45 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.498 2.132 . . . . 0.0 112.134 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -127.64 177.23 6.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.574 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -160.92 142.27 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.716 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -102.12 146.67 27.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.527 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.39 131.23 56.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.657 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -98.34 148.34 23.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.671 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 59.0 t -138.97 129.1 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -97.09 123.41 40.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.539 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.17 108.07 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.488 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -104.08 157.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -157.69 95.47 1.43 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.332 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 p -130.56 123.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.448 ' O ' ' CB ' ' B' ' 16' ' ' ALA . 23.8 m -135.48 144.35 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' B' ' 15' ' ' VAL . . . 78.79 154.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.87 -140.61 5.9 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -83.22 179.24 7.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.439 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -146.32 148.94 32.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.705 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 24.5 t -137.72 131.89 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.9 m -98.41 122.84 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' B' ' 23' ' ' LYS . 70.2 t -102.33 159.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' B' ' 22' ' ' VAL . 29.8 tttp -122.32 128.49 51.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.6 mt -136.5 119.69 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.78 101.81 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.44 ' OE2' ' NH2' ' A' ' 5' ' ' ARG . 3.6 tt0 -106.89 129.64 54.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.3 p -85.87 175.01 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.422 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.49 -49.14 77.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.45 -29.88 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.48 28.71 6.6 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.59 147.97 24.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.734 0.302 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.6 p -107.58 118.87 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.595 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.658 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.4 p -76.94 -94.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.331 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.658 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 6.0 m -135.35 138.5 43.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.47 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 m -98.93 131.21 46.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.71 107.34 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.551 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.26 135.35 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -41.65 118.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -73.32 -22.81 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.626 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.466 ' CG ' ' N ' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -69.52 -61.06 1.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.866 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' B' ' 40' ' ' ASP . 6.2 pt-20 -59.42 -25.69 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.739 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 35.4 m -81.87 -16.17 51.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.67 -53.39 7.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.571 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.7 -41.81 98.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.546 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mm -58.75 -26.33 31.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.402 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.11 -18.62 78.3 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -84.2 -33.01 24.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.947 0.403 . . . . 0.0 110.651 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -85.63 -20.91 28.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.656 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 66.3 p -98.14 -42.36 7.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.539 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.31 28.73 9.49 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 mt -125.53 132.43 24.31 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -40.46 157.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.678 1.585 . . . . 0.0 111.728 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -71.33 -54.39 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.355 2.037 . . . . 0.0 112.068 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -49.28 -44.12 43.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.505 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -36.8 81.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.396 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 68.5 t -73.44 -34.63 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.599 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -61.8 -48.75 79.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.5 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.58 -29.32 70.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.523 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 10.3 tmm? -73.07 -63.47 1.17 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.643 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.523 ' N ' ' SD ' ' B' ' 59' ' ' MET . 9.1 p -59.57 -28.63 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.63 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' B' ' 62' ' ' ALA . 4.3 tm-20 -63.51 -61.59 2.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.505 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.47 ' N ' ' CD ' ' B' ' 61' ' ' GLU . . . -48.57 -27.36 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -67.12 -62.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.79 -24.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' B' ' 63' ' ' ALA . 7.5 tpp180 -73.69 -44.1 57.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.79 1.75 10.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 43.54 92.45 0.01 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.33 -175.11 33.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -103.85 159.23 15.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.678 0.275 . . . . 0.0 110.614 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.35 141.22 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.672 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -113.5 121.86 45.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.529 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 mp -88.03 -58.37 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.743 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -62.07 1.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' B' ' 72' ' ' LEU . 15.8 mm-40 -132.93 -18.66 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.559 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 55.83 61.55 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.495 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -139.85 157.5 45.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.736 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 mt -139.94 128.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -146.7 166.61 26.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.482 ' CG2' ' N ' ' B' ' 80' ' ' GLN . 3.4 p -137.45 160.74 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.482 ' N ' ' CG2' ' B' ' 79' ' ' VAL . 2.7 pt20 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.484 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.613 0.244 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -51.71 118.71 4.7 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.56 2.173 . . . . 0.0 112.236 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -101.51 150.31 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.485 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -158.02 134.06 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.571 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.46 ' HE1' ' OD1' ' A' ' 8' ' ' ASP . 54.6 p90 -86.3 146.1 26.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.523 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -110.34 130.17 55.6 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.662 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.46 ' OD1' ' HE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -100.56 103.41 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.611 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.6 t -76.91 129.1 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.691 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -90.54 124.15 34.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.14 126.47 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 m -134.3 138.36 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.23 97.6 4.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 p -154.38 151.01 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.679 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -140.29 143.51 29.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.568 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 77.74 158.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.62 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.87 -74.46 0.06 OUTLIER Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -138.11 145.0 41.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -138.87 130.23 27.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.67 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.427 ' CG2' ' N ' ' A' ' 21' ' ' SER . 6.1 p -98.23 158.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.427 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -94.45 130.53 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.7 t -142.97 133.39 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -98.12 105.98 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.459 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 mt -111.9 120.07 61.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.66 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -102.49 123.74 46.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.62 166.9 12.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.564 ' OG1' HG23 ' A' ' 33' ' ' VAL . 5.4 m -148.32 -50.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -95.62 17.01 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.435 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 53.9 16.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.01 -34.1 0.02 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -101.3 150.32 23.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.784 0.326 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 14.1 p -107.63 108.15 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.384 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.564 HG23 ' OG1' ' A' ' 27' ' ' THR . 74.2 t -53.7 -59.6 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 p -148.84 163.75 36.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.595 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.4 m -133.15 146.12 32.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.629 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 113.77 13.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.945 0.402 . . . . 0.0 110.463 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.2 147.67 26.36 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.594 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.09 124.47 32.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -73.49 -28.28 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.69 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.84 -64.49 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -55.7 28.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.6 m -48.03 -41.57 25.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -65.47 -19.32 65.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.506 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -82.5 -55.82 4.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.406 ' N ' ' CD1' ' A' ' 45' ' ' ILE . 1.7 mp -46.97 -36.62 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.512 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.17 -26.62 72.53 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 44' ' ' GLU . 2.4 tp10 -76.44 -32.3 58.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.549 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -83.94 -40.61 18.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.681 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.487 ' HG1' ' H ' ' A' ' 50' ' ' GLY . 41.9 p -84.97 -46.05 11.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.541 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.487 ' H ' ' HG1' ' A' ' 49' ' ' THR . . . 101.96 29.16 6.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mt -110.78 131.8 21.93 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -40.75 157.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 C-N-CA 121.862 1.708 . . . . 0.0 111.731 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -72.04 -57.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.314 2.009 . . . . 0.0 111.98 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.02 -37.85 7.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.601 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -68.89 -39.94 79.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.615 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.3 t -77.78 -26.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.634 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -66.5 -43.08 86.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.97 -24.66 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.519 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.477 ' SD ' ' O ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -76.64 -43.55 37.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.486 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.4 t -75.94 -33.27 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -72.66 -43.19 63.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.453 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.13 77.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.444 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.42 -49.81 76.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.25 -23.61 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -74.2 -47.51 35.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.03 1.51 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 51.37 97.88 0.01 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.3 -155.19 8.22 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.674 ' CZ3' ' HB2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -136.79 169.23 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.567 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 71' ' ' ASP . 46.3 t -133.15 157.28 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -141.96 113.08 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' GLU . 10.0 mp -75.51 -22.1 57.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -43.18 -20.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -168.95 28.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.539 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 42.16 87.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.658 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -140.03 161.83 36.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.1 mt -137.04 125.75 35.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.674 ' HB2' ' CZ3' ' A' ' 69' ' ' TRP . 55.5 mttt -141.65 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.646 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.431 ' O ' ' CG2' ' A' ' 79' ' ' VAL . 2.5 p -141.07 -9.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.534 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 76.9 t . . . . . 0 N--CA 1.467 0.385 0 CA-C-O 120.695 0.283 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -52.0 157.27 6.22 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.562 2.175 . . . . 0.0 112.041 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 3.1 p -167.12 131.86 2.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.47 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -170.16 149.09 3.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -77.04 142.07 40.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.696 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -110.14 157.58 19.24 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.17 109.36 11.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -82.15 119.61 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.514 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.43 126.1 29.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.682 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.19 88.59 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.573 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 m -101.24 153.04 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.54 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.71 95.04 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.629 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 t -96.49 154.28 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.511 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.36 124.55 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.05 176.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.657 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.8 -136.75 3.29 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.26 126.18 34.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.314 . . . . 0.0 110.598 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.95 127.72 48.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.681 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -102.68 132.87 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.53 125.38 31.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.651 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 69.9 t -140.2 117.02 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.468 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.31 130.91 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.54 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.6 mt -137.03 132.26 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.726 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.06 99.09 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -100.32 147.78 25.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -99.83 -155.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.445 ' N ' ' OG1' ' B' ' 27' ' ' THR . 51.5 mt-10 -94.92 23.14 5.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -138.72 19.55 2.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.455 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.02 36.93 76.36 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -103.29 133.85 47.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.512 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.44 ' O ' ' CG1' ' B' ' 32' ' ' VAL . 7.2 p -107.64 89.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.481 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.483 ' CG1' ' H ' ' B' ' 34' ' ' THR . 7.3 p -49.02 -55.47 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.483 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 1.4 m -151.15 163.6 38.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.595 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 18.1 m -134.08 149.97 30.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.499 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -132.64 85.02 2.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.43 114.43 9.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.431 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 0.4 OUTLIER -41.96 115.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.495 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -77.36 -10.13 59.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.633 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.73 -64.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.526 ' N ' ' OE2' ' B' ' 41' ' ' GLU . 1.6 mm-40 -60.4 -42.46 95.99 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.602 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 78.6 m -56.3 -38.75 71.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -56.17 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.409 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -47.14 -60.12 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.28 -20.25 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.51 -30.68 34.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.91 -36.99 84.91 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.847 0.356 . . . . 0.0 110.669 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.44 -25.27 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.689 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -85.06 -49.87 7.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.551 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.42 -23.52 33.94 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -85.72 156.74 58.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -39.35 157.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 122.355 2.036 . . . . 0.0 111.833 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.94 -56.79 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.379 2.052 . . . . 0.0 112.005 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -43.86 -50.35 7.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.623 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -47.02 -37.1 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.646 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 72.6 t -78.38 -38.05 22.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.745 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -55.28 -47.64 75.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.603 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.37 76.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' B' ' 59' ' ' MET . 14.3 tmm? -70.26 -43.19 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.597 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.88 -31.5 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.677 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -72.7 -51.69 18.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.557 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.66 -37.07 65.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -57.88 -63.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.12 -25.26 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -47.45 74.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -2.39 9.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.662 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 50.69 101.56 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.34 -153.11 6.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.539 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -127.54 162.26 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 110.461 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' B' ' 71' ' ' ASP . 54.6 t -138.34 156.7 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.477 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.5 OUTLIER -135.68 113.17 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.415 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' B' ' 74' ' ' GLU . 2.6 mp -72.2 -53.72 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -72.4 43.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' B' ' 72' ' ' LEU . 1.5 tm-20 -175.57 -23.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 58.51 70.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.521 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -138.82 147.44 42.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.461 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -140.55 119.19 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -138.11 167.01 22.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.43 ' O ' ' NE1' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -86.96 -176.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.539 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 2' ' ' VAL . 34.0 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.63 0.252 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.5 113.03 1.04 Allowed 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.74 2.294 . . . . 0.0 111.947 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 p -78.66 140.52 38.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.563 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -119.49 135.18 54.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.485 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -103.2 153.35 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -127.67 125.33 39.88 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -103.11 110.04 21.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.0 t -103.03 110.98 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -78.51 123.41 27.03 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.616 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -113.33 125.32 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.3 m -133.26 168.34 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -155.71 95.28 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.438 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -154.31 155.87 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.29 107.46 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.5 168.08 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.13 169.44 39.66 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -171.24 3.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.865 0.365 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -150.51 150.92 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.633 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.78 143.42 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.6 m -95.92 140.42 30.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.7 t -137.6 139.13 43.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -105.95 129.27 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.463 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.0 mt -139.01 121.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.551 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.44 139.38 35.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.669 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -133.38 163.74 28.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.52 ' C ' ' H ' ' A' ' 29' ' ' GLU . 71.0 p -133.9 -76.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' OG1' ' A' ' 27' ' ' THR . 30.3 mt-10 -69.4 9.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.616 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.1 mt-10 60.23 13.29 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.18 -31.91 0.19 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.98 139.52 38.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.727 0.299 . . . . 0.0 110.658 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 10.2 p -107.56 105.59 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.538 ' CG1' ' H ' ' A' ' 34' ' ' THR . 7.4 p -52.17 -58.46 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.998 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.538 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 88.7 m -151.21 163.46 38.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.779 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.429 ' N ' ' CG2' ' A' ' 34' ' ' THR . 16.4 m -132.42 143.39 40.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.443 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.31 167.7 16.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.7 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.95 116.04 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.475 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.71 105.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 1.027 ' CD1' ' NH1' ' A' ' 43' ' ' ARG . 45.5 p90 -73.88 -12.69 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.56 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.57 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.556 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -58.44 -46.23 86.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.3 m -49.17 -37.92 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.675 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 1.027 ' NH1' ' CD1' ' A' ' 39' ' ' PHE . 6.4 mtm180 -73.2 -26.43 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.573 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 4.0 mm-40 -82.3 -30.8 30.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.7 mt -75.34 -21.24 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.22 -20.62 69.42 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.27 -19.84 45.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.835 0.35 . . . . 0.0 110.501 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 1.1 mp0 -79.3 -41.01 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -43.16 9.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.31 33.42 6.54 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 pt -125.49 147.71 58.93 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -38.04 157.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.187 1.925 . . . . 0.0 112.118 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 56' ' ' VAL . 56.3 Cg_endo -72.59 -49.87 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.285 1.99 . . . . 0.0 112.063 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -43.73 -45.7 7.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.4 -27.39 67.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 53' ' ' PRO . 40.5 t -82.95 -37.4 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -58.85 -49.69 76.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.365 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.41 81.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' A' ' 59' ' ' MET . 2.9 tmm? -62.06 -46.32 89.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.8 t -69.2 -34.0 61.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.57 -58.88 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.23 -31.96 1.72 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.493 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -63.13 -63.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.53 -23.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.732 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.426 ' N ' ' C ' ' A' ' 63' ' ' ALA . 1.3 tmm_? -76.33 -45.71 31.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.479 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -99.85 0.76 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.683 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 40.88 94.49 0.01 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.87 -167.73 24.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 1.1 m0 -104.8 168.68 8.9 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.754 0.312 . . . . 0.0 110.543 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.0 t -147.1 136.64 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -102.21 115.88 31.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 74' ' ' GLU . 3.0 mp -63.74 -56.17 17.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -72.29 43.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.482 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -175.99 -17.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.36 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 47.22 64.96 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.504 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -136.02 153.43 51.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.486 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.2 mp -126.41 137.95 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.526 ' NZ ' ' CZ3' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -137.97 149.98 46.61 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.614 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.499 ' CG1' ' H ' ' A' ' 80' ' ' GLN . 2.7 t -60.27 -134.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.66 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.499 ' H ' ' CG1' ' A' ' 79' ' ' VAL . 40.3 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.52 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -83.67 103.19 1.05 Allowed 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.681 2.254 . . . . 0.0 112.06 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -93.15 148.7 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.743 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -145.83 142.69 29.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -86.29 146.66 26.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -110.35 165.88 11.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.375 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -140.04 109.67 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.778 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 80.9 t -100.04 131.76 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.512 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -96.9 123.18 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.656 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.71 100.68 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 20.2 m -86.55 158.17 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.57 137.14 28.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.437 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -80.16 150.35 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -140.12 137.53 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.43 169.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.99 -101.61 0.16 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.67 169.62 10.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.923 0.392 . . . . 0.0 110.51 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -141.56 123.9 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.348 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -102.0 139.58 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.467 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 8.2 t -101.39 132.44 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 85.4 t -133.61 147.04 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.52 129.18 56.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.1 mt -135.08 132.47 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.35 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.87 128.68 46.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.498 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -133.26 149.5 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.4 p -96.09 -167.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.687 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -99.47 21.64 11.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -132.23 36.16 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.18 60.09 6.45 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -138.51 124.03 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.445 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' B' ' 32' ' ' VAL . 13.1 p -107.59 115.28 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.3 -98.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 8.1 m -139.1 139.82 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.733 0.302 . . . . 0.0 110.624 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.65 141.58 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.458 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 101.6 5.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.535 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.16 159.93 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -83.61 120.68 26.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.463 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 0.75 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 35.0 p90 -77.06 -15.61 59.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.75 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 23.8 m-20 -72.09 -54.83 8.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.629 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.444 ' OE1' ' SG ' ' B' ' 42' ' ' CYS . 1.4 pp20? -65.77 -31.24 72.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . 0.444 ' SG ' ' OE1' ' B' ' 41' ' ' GLU . 0.5 OUTLIER -74.91 -18.63 60.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.579 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -80.84 -34.14 34.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.425 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.07 -33.97 26.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.557 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.9 tp -64.79 -26.85 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.551 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.61 -38.77 94.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.63 -28.06 69.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' B' ' 48' ' ' GLU . 2.1 mm-40 -81.39 -29.76 33.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.644 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 59.3 p -85.07 -49.65 8.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.54 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.75 14.69 33.75 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.54 156.6 70.36 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -38.96 157.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.498 2.132 . . . . 0.0 112.007 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -71.71 -57.1 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.396 2.064 . . . . 0.0 112.208 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -44.01 -53.36 6.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.709 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -43.84 -38.37 3.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 56.0 t -76.79 -43.74 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.611 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -52.65 -48.01 66.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.79 81.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.528 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.3 tmm? -70.93 -44.68 65.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.1 t -74.3 -31.47 28.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.793 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -66.12 -54.94 19.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.368 . . . . 0.0 110.358 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.19 -34.68 61.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -59.44 -62.3 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.661 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.56 -30.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.636 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -42.15 92.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.57 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -102.78 -4.53 9.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.737 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 49.24 93.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.69 -173.41 34.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.88 176.76 5.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.648 0.261 . . . . 0.0 110.693 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -145.15 156.06 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.3 OUTLIER -133.21 113.05 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.181 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.89 -31.69 70.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -47.15 -24.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.489 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.66 -4.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.478 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' B' ' 71' ' ' ASP . 18.8 ttt-85 54.76 77.12 0.22 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.64 145.91 30.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.534 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.99 136.85 45.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.39 135.91 37.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' B' ' 80' ' ' GLN . 3.4 p -49.43 156.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.423 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' B' ' 79' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.516 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.612 0.244 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.15 130.56 5.58 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.788 2.326 . . . . 0.0 112.286 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 p -138.66 141.7 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.56 147.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.608 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -84.94 139.76 31.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.609 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -110.5 131.69 54.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.373 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -100.2 112.34 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.718 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.3 t -83.64 139.17 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.489 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.41 123.36 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.597 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -115.48 93.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.133 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 28.3 m -78.55 101.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.845 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.14 97.67 7.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.398 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -151.46 151.48 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.771 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 9.3 p -140.35 113.23 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 166.92 143.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.707 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.19 167.39 37.48 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -61.92 -178.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.494 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -141.42 127.74 19.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.638 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.7 t -95.76 153.35 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.678 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 m -110.45 108.98 19.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 59.2 t -115.65 165.26 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 7.1 ttpt -130.23 97.5 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.1 mt -99.81 132.26 45.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.641 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -102.69 111.17 23.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.643 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -104.5 155.05 19.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -80.22 0.52 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.23 -64.87 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.676 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -174.53 -36.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.13 43.43 1.52 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -137.73 120.8 16.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.68 126.83 65.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.639 ' CG1' ' H ' ' A' ' 34' ' ' THR . 2.2 p -88.66 -88.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.639 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 28.8 p -126.53 130.55 50.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.545 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 m -100.91 142.49 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.463 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -132.73 116.01 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.598 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.1 130.67 48.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.8 124.9 17.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.623 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 33.0 p90 -78.07 -11.96 59.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.6 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -77.66 -56.22 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.66 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' OE1' ' SG ' ' A' ' 42' ' ' CYS . 1.6 pp20? -60.75 -37.37 81.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 12.2 m -65.51 -37.94 88.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.676 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -77.64 -42.45 34.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.472 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.03 -24.11 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.631 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -80.4 -34.63 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.451 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.9 -18.81 57.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -78.04 -19.92 53.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.301 . . . . 0.0 110.508 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -89.09 -33.5 17.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.3 p -88.57 -50.17 6.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.94 33.91 6.43 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.691 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.53 155.34 72.18 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -35.64 100.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.612 2.208 . . . . 0.0 112.427 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.8 -24.44 10.08 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.183 1.922 . . . . 0.0 112.012 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -61.72 -55.69 27.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.598 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.93 -46.15 78.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.1 t -43.99 -43.46 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -63.34 -51.06 67.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.77 65.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.524 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 59' ' ' MET . 4.9 tmm? -84.64 -46.88 11.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.57 -25.88 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.548 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.51 -57.27 4.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.379 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.97 -38.01 34.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.482 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -61.73 -59.91 4.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.598 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.61 -23.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 63' ' ' ALA . 1.3 ttm-85 -73.88 -46.31 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.491 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -100.0 -0.72 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.469 -179.771 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.91 94.94 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.23 -147.14 4.51 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.431 ' CD1' ' OE2' ' B' ' 74' ' ' GLU . 0.0 OUTLIER -131.79 157.97 42.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.727 0.299 . . . . 0.0 110.476 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.7 t -136.57 139.7 44.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.691 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.78 113.1 23.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.408 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' A' ' 74' ' ' GLU . 5.3 mp -73.26 -48.47 34.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -75.03 27.42 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.6 mt-10 -156.37 -17.05 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 57.44 64.09 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.476 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -139.0 149.32 44.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.2 mt -136.72 85.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.451 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -77.12 127.42 32.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 80' ' ' GLN . 6.8 m -59.37 -144.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.713 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.444 ' N ' ' CG2' ' A' ' 79' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.614 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.579 0.228 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.81 104.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.462 2.108 . . . . 0.0 112.223 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -172.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.625 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -172.63 147.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -101.67 142.26 33.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.534 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -117.55 128.08 54.61 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.64 112.93 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.4 126.99 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -98.91 123.43 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.475 ' O ' ' NE2' ' B' ' 13' ' ' GLN . 2.5 t -120.84 105.34 16.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.345 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 m -96.49 130.18 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.604 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.494 ' N ' ' OE1' ' B' ' 13' ' ' GLN . 0.8 OUTLIER -129.72 96.5 4.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.606 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 p -154.53 155.57 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.453 ' O ' ' CB ' ' B' ' 16' ' ' ALA . 8.8 p -140.31 111.43 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' B' ' 15' ' ' VAL . . . 164.87 153.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.76 -174.57 42.43 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -177.45 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -138.44 115.4 10.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -103.09 116.06 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.633 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.7 t -70.94 126.42 29.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -132.32 130.63 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -102.75 125.13 49.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.559 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mt -135.85 120.29 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.643 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.86 101.49 13.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -101.97 148.8 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.52 ' C ' ' H ' ' B' ' 29' ' ' GLU . 61.2 p -101.56 -83.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -75.25 26.3 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' B' ' 27' ' ' THR . 18.3 tp10 49.24 39.27 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.61 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.26 -38.55 0.02 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -101.79 136.52 41.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.816 0.341 . . . . 0.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.6 p -107.39 89.13 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.619 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' B' ' 34' ' ' THR . 30.4 m -41.94 -49.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.759 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.458 ' N ' ' CG2' ' B' ' 33' ' ' VAL . 88.4 m -151.08 162.51 40.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.684 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.417 ' N ' ' CG2' ' B' ' 34' ' ' THR . 0.8 OUTLIER -151.26 129.88 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.343 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -132.79 102.2 5.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.735 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' B' ' 39' ' ' PHE . . . -77.78 128.97 34.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -41.57 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.417 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 0.52 ' CG ' ' N ' ' B' ' 40' ' ' ASP . 30.0 p90 -58.75 -49.0 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.681 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.52 ' N ' ' CG ' ' B' ' 39' ' ' PHE . 0.0 OUTLIER -43.53 -64.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.543 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.29 -58.09 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -42.79 6.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -73.88 -56.6 4.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.92 -26.62 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -83.69 -37.99 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.63 -31.91 5.4 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.06 -38.08 85.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 110.489 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -75.47 -19.15 59.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.4 ' HG1' ' H ' ' B' ' 50' ' ' GLY . 46.4 p -91.55 -50.21 5.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.59 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . 0.4 ' H ' ' HG1' ' B' ' 49' ' ' THR . . . 89.99 19.58 46.44 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.41 156.32 70.43 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -35.49 100.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.994 2.462 . . . . 0.0 112.327 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.85 -21.62 2.69 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.014 1.809 . . . . 0.0 112.054 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -67.68 -50.75 56.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.16 -29.89 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.445 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.05 -36.3 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.333 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -67.52 -53.56 27.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.461 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.38 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.537 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.3 tmm? -76.46 -57.23 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.537 ' N ' ' SD ' ' B' ' 59' ' ' MET . 2.6 p -70.16 -6.21 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.672 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -83.32 -60.35 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.287 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.53 -37.85 58.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -64.47 -56.74 12.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.591 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.57 -26.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -45.26 43.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.592 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -97.5 1.72 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 46.68 96.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.13 -161.31 10.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -127.57 153.04 46.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.557 0.218 . . . . 0.0 110.556 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -128.42 151.67 35.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' B' ' 71' ' ' ASP . 0.0 OUTLIER -120.15 113.22 20.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.149 179.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.5 mp -77.6 -57.58 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.983 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -66.95 7.63 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.821 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.4 mm-40 -142.25 -4.27 1.03 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 110.597 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' B' ' 71' ' ' ASP . 10.8 mmt180 42.35 82.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.669 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -150.93 150.78 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 22.7 mt -137.77 100.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -106.92 140.2 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.597 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -85.54 175.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.64 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 -179.921 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.372 0.129 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -83.57 105.91 1.26 Allowed 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.841 2.361 . . . . 0.0 112.106 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.6 m -63.27 -179.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -139.65 135.56 33.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -103.28 152.71 21.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -135.02 151.06 50.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.647 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.05 125.68 53.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.542 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -103.12 110.84 30.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.608 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' B' ' 70' ' ' VAL . 15.0 ttm180 -64.23 127.49 31.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.83 108.69 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.641 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.64 131.58 53.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.572 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.72 95.41 4.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.258 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 p -154.02 133.51 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.585 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 14.9 p -135.99 114.33 15.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.491 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 165.21 -177.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.452 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.98 174.02 16.82 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.55 -177.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.502 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -138.64 132.54 31.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.0 t -102.26 153.77 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.556 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.83 117.25 33.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.629 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.62 156.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.647 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -137.52 128.29 27.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.25 148.26 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.548 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.01 119.07 31.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -103.5 145.24 30.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 29' ' ' GLU . 41.3 p -104.35 -177.89 3.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.461 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -79.15 26.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.621 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.6 tt0 -132.21 16.68 4.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.7 23.18 43.11 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -104.74 151.92 23.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 13.7 p -107.56 118.37 55.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.66 ' CG1' ' H ' ' A' ' 34' ' ' THR . 2.6 p -68.67 -99.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.428 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.66 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 29.3 p -119.81 135.04 55.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.769 0.319 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.451 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 3.6 m -101.88 124.01 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.634 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -104.22 138.91 40.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.72 148.14 41.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.529 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.63 113.96 13.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.441 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -67.68 -16.47 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -64.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.752 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' OE1' ' SG ' ' A' ' 42' ' ' CYS . 1.7 pp20? -56.82 -25.95 57.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 93.1 m -72.87 -44.78 60.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -73.45 -52.59 13.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -44.97 -59.72 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.56 -30.86 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.66 -19.92 7.12 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -85.53 -25.83 26.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.652 0.263 . . . . 0.0 110.499 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.24 -29.63 66.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.3 p -89.91 -50.23 6.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.13 29.23 8.1 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.223 -0.513 . . . . 0.0 111.882 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.61 155.81 71.69 Favored Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' A' ' 54' ' ' ARG . 92.8 Cg_exo -35.16 99.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.721 2.281 . . . . 0.0 112.364 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -50.69 -12.63 0.6 Allowed 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.206 1.937 . . . . 0.0 112.05 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' A' ' 52' ' ' PRO . 1.7 tpm_? -71.44 -44.94 63.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.717 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -65.69 -47.06 76.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.023 0.44 . . . . 0.0 110.679 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.5 t -46.85 -50.5 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.616 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -53.12 -54.95 28.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -20.61 66.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -72.68 -43.36 63.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.612 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.8 t -63.0 -55.63 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -43.5 -55.52 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.35 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.59 -43.81 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.453 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -63.1 -58.05 8.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.17 -24.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 ttm-85 -72.06 -46.91 55.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.503 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.06 6.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.558 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.16 83.23 0.02 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.41 -164.25 11.31 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.474 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -116.96 167.88 10.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.334 . . . . 0.0 110.62 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -131.29 145.62 35.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.637 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.433 ' OD1' ' CZ2' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -134.76 112.97 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.517 ' C ' ' H ' ' A' ' 74' ' ' GLU . 8.2 mp -72.32 -24.6 61.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.15 -9.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.527 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.3 mm-40 -175.08 18.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.625 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 43.65 84.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -139.15 131.38 28.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.359 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.78 132.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.586 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.65 ' HZ1' ' NZ ' ' B' ' 78' ' ' LYS . 12.5 ptmt -163.34 153.93 16.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.7 p -54.15 147.2 2.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.608 179.855 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.528 0.116 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.01 110.13 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.516 2.144 . . . . 0.0 112.067 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.66 137.79 48.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.487 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -163.64 147.47 10.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.586 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -79.09 147.27 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.631 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -110.25 167.78 9.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.523 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.71 88.61 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.678 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.8 t -74.25 130.66 35.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.501 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.17 123.17 38.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.69 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.0 t -107.2 130.31 59.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.629 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -134.31 160.94 41.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.82 94.96 1.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.608 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.8 p -154.35 137.43 7.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.453 ' O ' ' CB ' ' B' ' 16' ' ' ALA . 11.4 p -129.92 115.93 35.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.667 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' B' ' 15' ' ' VAL . . . 164.86 177.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.69 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.7 160.59 8.58 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.92 178.59 2.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.825 0.345 . . . . 0.0 110.452 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -150.86 131.66 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.556 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.93 151.11 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.433 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.8 t -101.31 113.13 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.655 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 89.5 t -103.74 156.52 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -124.41 122.14 36.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.493 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.0 mt -130.23 121.46 51.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.616 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.75 130.52 36.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.5 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -133.38 141.07 47.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.404 ' C ' ' H ' ' B' ' 29' ' ' GLU . 30.9 p -98.07 -177.44 3.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.758 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.42 20.87 1.01 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.366 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' B' ' 27' ' ' THR . 7.9 tt0 -119.13 2.19 11.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.469 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.31 18.79 79.45 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -99.34 135.02 41.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.406 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -107.62 125.91 63.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.655 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.5 p -73.02 -97.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.349 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.655 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 2.0 t -138.33 147.82 43.94 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.656 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 p -94.28 142.16 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.608 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -132.77 94.18 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.331 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.06 125.33 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -47.68 98.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -56.1 -18.34 9.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -64.63 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.487 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -57.32 -38.18 73.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 22.1 m -57.03 -43.76 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.634 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -41.08 92.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -70.44 -26.37 63.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -77.38 -28.71 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.73 -22.43 33.14 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -77.99 -25.35 47.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -85.41 -29.67 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.507 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.617 ' HG1' ' N ' ' B' ' 50' ' ' GLY . 59.8 p -90.0 -48.48 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.468 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . 0.617 ' N ' ' HG1' ' B' ' 49' ' ' THR . . . 102.4 -26.38 24.4 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.4 156.22 85.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.31 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -38.82 157.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.402 2.068 . . . . 0.0 111.805 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -71.49 -58.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.391 0 C-N-CA 122.333 2.022 . . . . 0.0 112.123 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 -47.71 11.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -48.12 -28.45 2.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.573 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 t -81.45 -42.79 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -46.15 -54.84 7.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.56 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.23 -58.49 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.473 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -44.0 -40.33 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.581 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 34.1 t -73.41 -45.6 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.2 -44.15 97.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.458 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.64 -47.67 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.355 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' B' ' 65' ' ' ARG . . . -55.35 -63.52 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.58 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.38 -20.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.71 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' B' ' 63' ' ' ALA . 17.0 ttp180 -77.96 -43.36 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.038 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.88 -9.35 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.5 -93.38 0.12 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.11 72.49 0.02 OUTLIER Glycine 0 CA--C 1.528 0.898 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.187 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -141.93 136.83 30.81 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.16 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' ARG . 12.1 t -137.34 132.92 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -134.86 112.83 10.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.1 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mp -89.01 -18.17 27.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.685 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 pttm -49.16 -18.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.327 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -165.49 14.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.506 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 57.44 87.18 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -143.98 167.96 21.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -136.0 134.2 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.493 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.65 ' NZ ' ' HZ1' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -139.81 174.85 10.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.878 0.371 . . . . 0.0 111.013 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.61 144.06 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.448 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.51 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.755 0.312 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -52.34 145.02 37.61 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.716 2.278 . . . . 0.0 112.144 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.97 114.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.516 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -168.41 155.94 7.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.47 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -76.82 138.67 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.483 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -110.22 128.84 55.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.468 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.53 116.34 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.687 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t -84.41 140.92 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -87.91 123.25 32.47 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.729 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.98 127.17 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.187 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 m -129.79 168.41 22.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.446 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -124.13 130.64 52.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.18 118.86 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.584 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.79 143.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.482 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.07 162.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.79 -104.75 0.2 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.19 160.21 24.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.714 0.292 . . . . 0.0 110.599 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -140.15 123.8 17.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.668 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.3 t -100.87 147.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.491 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.09 133.12 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t -137.68 130.51 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -104.02 126.41 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.47 138.74 51.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.404 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.59 100.98 12.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.605 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -103.35 134.86 46.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.473 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.413 ' C ' ' H ' ' A' ' 29' ' ' GLU . 1.2 p -90.32 179.87 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.52 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.95 10.5 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' H ' ' C ' ' A' ' 27' ' ' THR . 22.6 tt0 -111.46 -14.22 13.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.637 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.72 22.69 32.89 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -103.79 155.69 18.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.754 0.312 . . . . 0.0 110.471 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 7.2 p -119.7 94.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.506 ' CG2' ' H ' ' A' ' 34' ' ' THR . 35.5 m -50.79 -57.1 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.792 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.506 ' H ' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -151.12 163.49 38.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.809 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -128.44 138.15 55.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -132.8 126.4 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.16 125.81 51.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -44.19 111.13 0.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.538 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.84 ' HD1' ' HD2' ' A' ' 43' ' ' ARG . 39.9 p90 -73.32 -18.49 61.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.513 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -64.26 0.92 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.752 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' OE2' ' SG ' ' A' ' 42' ' ' CYS . 3.1 pp20? -58.47 -31.73 68.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.653 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.454 ' SG ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -77.37 -18.98 56.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.604 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.84 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 3.2 mtt180 -81.91 -33.05 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.16 -26.14 33.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.98 -21.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.537 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.42 51.08 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -52.09 15.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.805 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.88 -9.14 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.6 p -101.42 -37.75 8.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -26.64 23.52 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.11 154.11 38.26 Favored Pre-proline 0 C--N 1.331 -0.207 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.346 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -58.56 164.06 9.81 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.379 2.053 . . . . 0.0 112.012 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.18 -46.76 2.01 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.618 2.212 . . . . 0.0 112.154 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -48.01 -34.89 10.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.569 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.64 -51.27 17.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.59 -38.66 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.709 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -58.0 -44.92 87.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.652 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.53 -24.35 64.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.423 ' C ' ' SD ' ' A' ' 59' ' ' MET . 10.8 tmm? -78.19 -54.31 6.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.619 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.66 -21.75 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.768 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.6 tm-20 -66.51 -62.03 1.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -54.21 -31.01 51.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -62.45 -63.4 1.24 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.788 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.7 -29.15 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -43.15 75.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -101.59 -1.55 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.776 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.69 94.81 0.01 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.7 -147.39 4.79 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.588 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -124.26 162.82 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 0.0 110.369 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 t -144.77 133.9 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.661 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ARG . 9.3 m-20 -103.83 112.69 25.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.319 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 74' ' ' GLU . 1.9 tp -69.18 -29.9 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.354 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HZ3' ' CA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -70.11 10.81 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.635 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -166.23 1.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.58 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' ASP . 4.1 ttt-85 41.44 55.02 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.522 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -113.83 148.38 36.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.82 115.45 45.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -142.6 142.93 32.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.7 p -94.53 155.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.641 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.441 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.716 0.293 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -51.87 102.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.687 2.258 . . . . 0.0 112.074 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -166.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.672 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.85 125.55 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.483 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -87.74 152.03 22.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.45 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -136.39 140.91 43.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.426 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -109.88 85.27 2.07 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.95 133.75 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.746 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -96.35 124.42 40.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.651 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -122.05 105.16 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -94.76 134.14 33.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.739 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.64 95.1 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.207 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -137.62 149.38 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.693 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.82 129.52 75.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.689 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 51.71 -176.97 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.621 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.7 -82.32 0.08 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -89.52 166.26 13.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.346 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -149.37 111.8 4.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.84 154.86 7.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.99 140.56 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.685 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.1 t -142.68 118.56 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -83.85 126.47 32.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.457 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 mt -137.96 129.26 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.66 139.84 36.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -133.57 154.65 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.656 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 44.7 p -128.72 -72.68 0.6 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.573 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.478 ' N ' ' OG1' ' B' ' 27' ' ' THR . 1.9 mt-10 -78.32 20.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' B' ' 27' ' ' THR . 2.1 mt-10 52.17 12.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -137.8 -34.58 0.19 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -101.55 130.3 47.81 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.542 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.55 129.53 61.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.719 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.648 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.4 p -65.73 -94.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.648 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 4.2 t -135.65 137.63 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.461 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.43 143.43 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.629 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -132.51 102.15 5.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.54 150.5 38.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.656 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -72.55 119.66 17.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 0.795 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 32.8 p90 -78.15 -13.44 59.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.795 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 53.6 m-20 -77.63 -64.45 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -56.49 -34.19 66.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 99.1 m -69.59 -38.44 77.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.621 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -69.38 -48.89 59.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.62 -61.44 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.541 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.08 -20.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.618 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.11 -18.74 79.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' B' ' 49' ' ' THR . 25.9 mm-40 -86.45 -54.54 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 110.774 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.61 -10.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.687 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.436 ' H ' ' C ' ' B' ' 47' ' ' GLU . 28.9 p -110.05 -44.57 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.62 30.13 5.67 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.74 156.42 71.12 Favored Pre-proline 0 C--N 1.332 -0.189 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.92 161.87 43.91 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.333 2.022 . . . . 0.0 111.942 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.97 -48.31 0.38 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.583 2.189 . . . . 0.0 112.181 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -44.04 -49.68 8.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.718 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -52.02 -35.61 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 t -83.37 -47.39 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -45.89 -43.62 13.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.54 -62.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.994 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.4 tmm? -45.63 -44.0 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 1.2 p -72.93 -28.38 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.97 -62.08 1.53 Allowed 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.367 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.11 -31.68 8.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.281 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -69.58 -30.87 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.7 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.31 -20.56 62.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -81.41 -40.27 23.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -18.58 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 51.88 91.22 0.01 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.78 -123.79 2.0 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.628 ' CD1' ' N ' ' B' ' 70' ' ' VAL . 0.6 OUTLIER -153.24 140.52 19.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.61 0.243 . . . . 0.0 110.446 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.628 ' N ' ' CD1' ' B' ' 69' ' ' TRP . 47.9 t -130.53 157.78 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.497 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.5 OUTLIER -112.63 128.48 56.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.963 179.393 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.46 ' C ' ' H ' ' B' ' 74' ' ' GLU . 6.8 mt -84.08 -50.66 7.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.939 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 16.6 0.46 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.0 mm-40 -148.51 -10.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.554 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 41.18 60.17 2.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.67 139.45 47.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.0 mt -103.43 126.8 57.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -139.12 179.27 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.706 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 45.7 t -127.93 142.89 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.408 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 7.4 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.648 0.261 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.94 99.92 0.93 Allowed 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.662 2.242 . . . . 0.0 112.27 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.12 134.82 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.588 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -151.6 147.54 26.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -82.49 136.62 34.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.459 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -110.29 131.09 55.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.458 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.05 105.47 17.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.1 t -84.87 129.02 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -83.0 132.83 35.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.746 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t -124.98 100.45 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.337 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 32.6 m -99.56 96.2 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.527 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.09 95.05 6.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 p -154.53 129.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 7.4 p -137.21 107.79 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.496 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 163.4 151.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.581 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.48 -164.28 32.23 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.45 -177.2 1.74 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 0.0 110.559 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -138.0 120.05 15.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.532 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.3 t -104.03 139.48 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -101.44 109.12 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.22 159.74 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -137.6 115.57 11.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.482 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.4 mt -131.42 139.3 51.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.568 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.14 137.46 41.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.41 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -133.42 147.15 51.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.6 p -105.51 -60.32 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.596 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' A' ' 30' ' ' GLY . 4.3 tt0 -98.89 15.47 25.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 60.58 2.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -110.96 -45.65 0.87 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -99.89 161.01 13.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.363 . . . . 0.0 110.591 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 11.2 p -126.83 105.47 14.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.433 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.546 ' CG1' ' H ' ' A' ' 34' ' ' THR . 7.5 p -52.82 -59.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.814 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.546 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 2.7 p -148.13 163.49 36.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.627 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.8 m -129.14 138.26 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.446 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -132.35 163.71 28.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.1 155.69 38.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.28 114.82 11.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.463 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -74.75 -14.3 60.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.36 -64.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.545 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -54.24 -33.43 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.57 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -47.27 76.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -70.45 -41.18 73.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.649 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.04 -42.66 85.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.65 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.7 mt -83.48 -20.01 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -53.39 -18.7 7.48 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -83.55 -32.2 25.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.572 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 10.3 tt0 -71.15 -28.89 64.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.635 ' HG1' ' H ' ' A' ' 50' ' ' GLY . 59.5 p -84.79 -49.83 8.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.6 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.635 ' H ' ' HG1' ' A' ' 49' ' ' THR . . . 101.98 -18.96 51.08 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.58 156.87 56.0 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.398 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -38.43 157.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.426 2.084 . . . . 0.0 111.71 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.79 -59.44 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 122.343 2.029 . . . . 0.0 112.162 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -49.13 -41.94 37.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -48.64 -33.75 10.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.54 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.3 t -79.33 -36.69 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.618 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -58.27 -54.7 44.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.47 83.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.0 tmm? -64.14 -36.97 85.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.697 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.71 -63.82 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -43.64 -38.68 3.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.364 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.6 -47.28 79.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.689 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -56.69 -51.43 68.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.539 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.92 -30.23 4.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -46.87 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.51 5.72 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.11 75.47 0.12 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.52 -154.07 6.35 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -124.97 176.61 6.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.0 t -135.32 132.77 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.71 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.27 113.04 25.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.589 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 74' ' ' GLU . 4.2 mp -76.02 -33.99 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.589 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -42.82 -20.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' LEU . 2.9 tp10 -158.19 19.98 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 42.57 89.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 78' ' ' LYS . 31.5 mt-10 -145.84 164.58 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 mt -138.75 123.41 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.651 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.24 157.85 45.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.14 139.84 18.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.538 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.7 p . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 111.236 0.087 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.0 96.47 0.74 Allowed 'Trans proline' 0 N--CA 1.487 1.092 0 C-N-CA 122.221 1.947 . . . . 0.0 112.198 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.22 147.34 48.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.467 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -137.6 150.65 47.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -100.37 149.07 24.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.3 -179.98 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.506 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.94 87.76 1.57 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' B' ' 10' ' ' ARG . 73.7 t -83.68 161.72 3.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.475 ' N ' ' CG1' ' B' ' 9' ' ' VAL . 3.3 tpp180 -128.01 123.36 34.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -105.93 101.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.412 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 m -93.07 139.59 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -145.69 95.12 2.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.592 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -154.41 155.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' B' ' 16' ' ' ALA . 8.5 p -131.48 123.55 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.564 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 15' ' ' VAL . . . 165.7 160.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.517 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.7 165.89 26.85 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -94.18 -168.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 110.648 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -145.98 124.25 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.75 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.74 119.4 57.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.7 t -78.38 138.62 38.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.633 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.0 t -133.52 122.11 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.475 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -81.84 104.55 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.647 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 44.1 mt -107.01 148.4 11.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.414 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.86 119.8 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -103.02 152.92 20.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.387 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -133.47 -44.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.691 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -101.17 8.87 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 53.4 60.38 3.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 169.96 -13.18 0.05 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -139.46 154.9 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.686 0.279 . . . . 0.0 110.575 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.0 p -107.56 94.77 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -43.39 -51.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.187 0.518 . . . . 0.0 110.703 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.09 163.59 38.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.53 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 p -151.22 143.2 16.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.524 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -132.8 99.61 4.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.79 138.49 39.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.637 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.48 118.1 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 1.11 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 33.2 p90 -74.75 -30.46 61.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.622 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 1.11 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 25.7 m-20 -66.84 -64.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -50.83 -31.7 17.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 52.0 m -74.79 -38.21 62.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -79.05 -55.83 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.469 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.92 -52.33 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.449 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 77.8 mt -74.79 -35.54 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.372 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.51 -22.85 8.42 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -77.55 -54.15 6.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.981 0.419 . . . . 0.0 110.512 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -62.37 -21.72 65.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.5 p -84.63 -39.07 19.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.612 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.36 33.6 31.41 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 mt -125.4 132.6 24.35 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.508 ' C ' ' H ' ' B' ' 54' ' ' ARG . 90.2 Cg_exo -37.99 102.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 122.225 1.95 . . . . 0.0 112.207 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -46.73 -10.76 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.165 1.91 . . . . 0.0 112.137 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' B' ' 52' ' ' PRO . 40.3 ttt85 -69.38 -54.9 12.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.227 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -66.54 -39.56 88.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -50.23 -41.97 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -64.09 -45.94 86.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.85 -21.48 64.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.674 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.8 tmm? -76.22 -58.83 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.515 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.583 ' N ' ' SD ' ' B' ' 59' ' ' MET . 2.2 p -66.09 -11.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.602 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -82.03 -56.48 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.349 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.09 -37.56 21.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -63.21 -58.15 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.553 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.53 -24.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.498 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 63' ' ' ALA . 3.6 ttp180 -75.79 -45.32 36.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -101.54 6.93 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.584 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 48.6 100.52 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.1 176.24 40.11 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.511 ' CD2' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -101.02 173.86 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.87 0.367 . . . . 0.0 110.676 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' B' ' 71' ' ' ASP . 49.3 t -135.67 162.44 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.57 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.409 ' N ' ' CG1' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -150.85 112.96 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mp -79.46 -20.08 48.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.87 -32.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.386 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.39 30.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.476 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 47.78 83.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.655 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -140.03 159.46 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 10.2 mt -143.72 107.78 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.501 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' A' ' 76' ' ' GLU . 29.5 ttmt -84.77 117.74 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.492 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.542 ' CG1' ' H ' ' B' ' 80' ' ' GLN . 2.4 t -69.92 -139.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.542 ' H ' ' CG1' ' B' ' 79' ' ' VAL . 12.8 mm-40 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.514 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 t . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.655 0.264 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.78 138.61 50.43 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.537 2.158 . . . . 0.0 111.996 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.67 139.57 7.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.591 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -169.54 147.96 3.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.658 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -77.2 136.95 38.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.398 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -110.39 154.43 23.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.291 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.541 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -126.67 87.47 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.534 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.2 t -78.31 110.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.525 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -91.59 123.45 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.646 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -104.16 111.0 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.337 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 19.5 m -100.18 113.45 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.644 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.09 98.82 6.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 p -154.67 152.51 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.577 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -140.61 119.68 11.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.595 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 163.4 154.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.612 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.23 -174.26 44.36 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -168.18 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.617 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -139.37 119.51 13.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.1 t -101.65 154.62 4.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.625 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.3 t -113.92 136.92 52.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.59 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 67.0 t -138.59 153.56 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -126.76 103.61 7.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.703 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.0 mt -101.73 123.27 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.381 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.16 36.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -107.02 150.87 26.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.476 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.517 ' C ' ' H ' ' A' ' 29' ' ' GLU . 4.3 p -114.53 -102.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.494 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.14 19.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.5 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.517 ' H ' ' C ' ' A' ' 27' ' ' THR . 14.5 tt0 60.59 44.11 11.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.0 -46.67 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -139.39 155.18 47.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.562 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -107.39 114.72 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.46 -43.66 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.266 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.472 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 92.8 m -151.28 150.14 30.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.707 0.289 . . . . 0.0 110.986 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.18 109.95 27.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.463 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -82.9 170.36 15.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.751 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.44 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -156.28 20.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 38' ' ' GLU . 0.3 OUTLIER 47.04 96.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.451 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -68.94 -15.5 63.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -75.93 -63.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.485 ' OE1' ' SG ' ' A' ' 42' ' ' CYS . 1.3 pp20? -56.46 -25.53 51.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 94.1 m -74.57 -37.74 62.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -74.5 -30.2 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -75.54 -39.73 57.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.621 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -69.33 -30.42 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -49.34 -24.07 4.84 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.61 -28.7 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -81.43 -32.23 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 p -85.48 -50.01 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.544 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.89 -26.13 25.78 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -79.9 156.4 74.82 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.335 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -40.06 158.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 122.216 1.944 . . . . 0.0 111.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.57 -51.94 0.15 Allowed 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.277 1.985 . . . . 0.0 112.183 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -38.48 3.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.599 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.31 -52.58 62.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.706 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.8 t -65.22 -48.17 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.717 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -45.92 -54.79 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.727 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.67 -20.13 66.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -59.9 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.0 t -65.93 -15.25 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.799 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -75.0 -63.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.52 -47.02 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -54.51 -59.79 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.62 -23.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.526 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 63' ' ' ALA . 0.8 OUTLIER -75.47 -41.8 54.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.521 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -110.5 11.4 8.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.16 94.1 0.01 OUTLIER Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.16 -167.83 11.74 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 2.1 m95 -109.12 144.84 36.64 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -107.79 142.64 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -132.86 117.49 17.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.075 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.516 ' C ' ' H ' ' A' ' 74' ' ' GLU . 1.8 mp -84.4 -57.81 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.004 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HZ2' ' CG2' ' B' ' 15' ' ' VAL . 14.5 mmtt -66.44 6.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.2 mt-10 -138.48 -10.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 41.65 56.18 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 77' ' ' ILE . 16.3 tp10 -140.58 148.13 40.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.503 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.523 ' H ' ' CD ' ' A' ' 76' ' ' GLU . 4.6 mt -118.36 102.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -68.48 124.41 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.01 154.73 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.393 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.409 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 93.8 t . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.588 0.233 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.34 102.25 1.03 Allowed 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.675 2.25 . . . . 0.0 112.205 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.0 m -79.11 167.83 20.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.544 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -141.16 147.08 37.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.457 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -95.04 141.3 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.608 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.0 -179.37 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.501 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.12 111.89 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.485 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t -101.09 150.12 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.531 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -107.89 123.39 48.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 72.3 t -106.19 99.5 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 m -103.45 134.71 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.46 95.08 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.094 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 73' ' ' LYS . 9.3 p -93.4 140.09 17.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.477 ' CG2' ' HZ2' ' A' ' 73' ' ' LYS . 14.5 p -133.14 136.11 55.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.81 169.19 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.68 -140.92 3.73 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -171.49 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.707 0.289 . . . . 0.0 110.574 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -148.65 140.76 23.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 99.2 t -130.19 148.79 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.2 t -103.14 127.3 50.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.479 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.31 146.84 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.651 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -122.35 116.21 23.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.494 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 16.1 tt -136.68 139.83 44.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.378 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.26 152.07 37.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.725 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -104.28 165.23 11.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.318 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.527 ' C ' ' H ' ' B' ' 29' ' ' GLU . 71.7 p -122.92 -74.42 0.62 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.445 ' N ' ' OG1' ' B' ' 27' ' ' THR . 9.2 mt-10 -73.92 21.52 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.662 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' B' ' 27' ' ' THR . 2.5 tt0 49.62 19.2 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.681 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.59 -53.02 0.07 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' B' ' 28' ' ' GLU . 17.3 pt-20 -110.99 133.37 53.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.396 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.82 105.02 18.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.565 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.431 ' O ' ' CG2' ' B' ' 33' ' ' VAL . 9.7 p -122.15 50.64 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 49.3 p -150.41 90.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.597 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 p -138.32 129.88 37.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.7 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -132.6 92.55 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.708 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.75 153.85 32.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.581 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.38 116.89 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.486 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -72.72 -12.41 61.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.693 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -77.68 -64.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.678 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -52.35 -36.26 53.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 m -63.07 -50.34 70.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -70.42 -52.68 20.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.99 -44.24 4.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.448 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -84.07 -26.27 7.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.83 -27.91 14.76 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.18 -36.55 64.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.843 0.354 . . . . 0.0 110.598 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.02 -11.06 60.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.483 ' HG1' ' H ' ' B' ' 50' ' ' GLY . 69.3 p -96.76 -50.15 4.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.637 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . 0.483 ' H ' ' HG1' ' B' ' 49' ' ' THR . . . 90.81 17.55 51.3 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.5 156.19 70.86 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -34.78 99.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.947 2.431 . . . . 0.0 112.398 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -48.07 -16.14 0.54 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.196 1.931 . . . . 0.0 112.089 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -72.62 -50.08 27.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.467 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.45 -21.17 59.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.49 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -77.82 -36.59 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.608 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -61.83 -55.06 33.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.57 -36.66 79.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -55.82 -41.07 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 5.5 t -67.0 -57.92 8.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -43.38 -57.9 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.414 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.0 -44.84 7.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.982 0.42 . . . . 0.0 110.391 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -60.48 -61.91 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.506 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.55 -20.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.673 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.0 OUTLIER -75.54 -47.47 26.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.701 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -108.13 6.55 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.741 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 40.49 93.62 0.01 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.13 -168.97 17.01 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.581 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 2.5 m95 -108.65 150.1 28.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.705 0.288 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 44.4 t -128.24 134.9 64.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.728 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.92 130.08 56.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.221 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -93.0 -59.53 2.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -69.92 8.49 0.71 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.477 ' H ' ' C ' ' B' ' 72' ' ' LEU . 1.9 mt-10 -139.04 -11.56 1.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.588 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 44.61 66.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.413 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 74' ' ' GLU . 0.5 OUTLIER -146.92 150.94 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.638 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 14.3 mt -140.23 134.28 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 158.22 39.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.558 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 16.7 t -85.49 149.46 4.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.798 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.051 0.453 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 4' ' ' SER . 71.6 Cg_endo -83.62 96.02 0.77 Allowed 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.781 2.321 . . . . 0.0 112.134 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -42.69 166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.599 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -143.48 130.73 20.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -99.9 143.63 29.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.768 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.79 125.37 53.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.38 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -91.44 96.28 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.89 143.7 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.459 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -107.12 133.2 52.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 t -129.16 100.83 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 14.5 m -101.19 115.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.806 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.71 96.4 5.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.017 0.437 . . . . 0.0 110.276 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -152.3 148.6 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.743 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 106.77 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' O ' ' CG1' ' B' ' 12' ' ' VAL . . . 169.83 164.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.536 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.671 ' H ' ' NH1' ' B' ' 10' ' ' ARG . . . 162.11 -149.0 16.87 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.519 ' O ' ' NH2' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -88.23 -174.57 4.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.669 0.271 . . . . 0.0 110.571 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -145.72 150.77 36.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.69 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -135.48 147.79 28.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.488 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -101.27 134.83 43.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.577 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.0 t -142.94 139.59 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -106.62 123.71 48.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.462 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mp -127.69 126.94 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.505 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.67 117.4 33.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -96.68 164.97 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.52 -62.4 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.57 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' A' ' 30' ' ' GLY . 4.5 tp10 -77.31 10.85 2.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 48.11 13.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -143.12 -18.07 0.25 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -139.35 151.02 46.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 110.554 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 10.6 p -107.54 116.83 51.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.49 ' CG1' ' H ' ' A' ' 34' ' ' THR . 7.1 p -49.83 -55.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.713 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.49 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 28.4 m -151.29 150.5 30.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.769 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.6 m -123.88 125.24 70.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.06 172.9 6.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.27 130.89 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER -62.36 104.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.642 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.939 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 33.9 p90 -59.21 -25.64 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.55 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -71.05 -64.13 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 8.7 mm-40 -44.17 -35.29 2.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.598 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 10.9 m -76.88 -43.98 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.645 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.939 ' NH2' ' CE1' ' A' ' 39' ' ' PHE . 44.7 mtp180 -62.18 -56.73 15.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -53.28 -34.24 56.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.468 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -72.24 -30.86 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.3 -25.68 8.52 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.87 -28.29 58.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.8 0.334 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -80.83 -31.07 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.507 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.9 p -86.14 -49.81 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.743 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.77 -18.85 54.35 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.4 156.5 56.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -38.61 157.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.367 2.044 . . . . 0.0 111.851 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -71.51 -55.86 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.287 1.991 . . . . 0.0 112.03 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.76 -52.39 6.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -48.1 -33.27 7.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -81.09 -30.96 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.7 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -67.84 -54.84 15.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.5 73.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.582 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 59' ' ' MET . 9.3 tmm? -67.32 -50.91 58.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.1 t -71.83 -39.08 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.0 tm-20 -61.34 -58.71 7.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.509 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.436 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -44.98 -44.99 10.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.89 -59.4 5.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.575 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.36 -20.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' ALA . 5.3 ttt180 -77.61 -47.45 19.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.808 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.06 3.35 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.76 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 52.65 106.1 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.7 168.9 40.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.49 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -100.91 150.83 22.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.487 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.6 t -118.81 150.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.502 ' OD1' ' NZ ' ' B' ' 73' ' ' LYS . 0.9 OUTLIER -126.49 116.95 21.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.202 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.499 ' C ' ' H ' ' A' ' 74' ' ' GLU . 3.5 mp -82.7 -56.13 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -69.0 10.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.845 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 72' ' ' LEU . 6.5 mt-10 -143.35 -4.91 0.87 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.531 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 41.95 71.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.455 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -156.06 136.17 12.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 89.2 mt -126.33 103.1 10.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.391 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -97.67 147.05 24.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.509 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -101.78 -155.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 79' ' ' VAL . 17.2 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.632 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' B' ' 2' ' ' VAL . 7.8 p . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 111.309 0.114 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -85.07 92.51 0.7 Allowed 'Trans proline' 0 C--N 1.317 -1.092 0 C-N-CA 122.287 1.991 . . . . 0.0 112.134 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.48 147.56 25.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.24 146.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -85.09 146.27 27.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.36 134.74 52.0 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -102.34 89.94 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.3 167.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.444 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.671 ' NH1' ' H ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -136.84 123.2 20.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 t -111.29 106.25 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.673 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.445 ' O ' ' CG2' ' B' ' 12' ' ' VAL . 4.8 m -104.82 122.18 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.515 ' N ' ' OE1' ' B' ' 13' ' ' GLN . 2.5 mp0 -128.69 94.9 3.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.396 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.43 155.15 6.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.707 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.39 113.8 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.436 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 175.83 152.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.613 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.6 167.2 32.27 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . 0.511 ' CZ3' ' OE2' ' B' ' 48' ' ' GLU . 0.0 OUTLIER -65.72 -172.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.707 0.289 . . . . 0.0 110.572 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 54.4 mtm-85 -144.63 122.53 12.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 82.5 t -96.63 152.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.16 128.11 53.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.459 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 t -130.47 140.31 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.495 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -101.06 131.64 46.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.2 124.13 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.56 119.26 33.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -133.49 126.28 30.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.4 p -90.58 -151.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.504 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -96.58 -30.81 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.531 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -42.81 -31.63 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 37.46 4.68 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -139.52 155.08 47.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.799 0.333 . . . . 0.0 110.555 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.9 p -107.57 130.94 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.558 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.665 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.5 p -73.95 -97.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.431 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.665 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 1.8 t -134.82 144.08 47.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 110.469 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 m -98.49 140.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -132.81 104.62 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.98 169.07 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.729 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -91.52 123.67 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -75.76 -14.36 60.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.651 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -77.17 -51.61 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.737 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 0.8 OUTLIER -67.28 -26.05 66.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.655 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.78 -32.26 61.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -40.62 64.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.72 -29.08 62.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -74.2 -29.15 24.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.469 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.09 -23.74 48.02 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -72.73 -29.33 63.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.605 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.511 ' OE2' ' CZ3' ' B' ' 18' ' ' TRP . 16.1 mt-10 -83.15 -28.26 29.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.636 ' HG1' ' N ' ' B' ' 50' ' ' GLY . 80.9 p -85.83 -49.92 7.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . 0.636 ' N ' ' HG1' ' B' ' 49' ' ' THR . . . 94.53 15.93 44.84 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.28 157.21 68.34 Favored Pre-proline 0 C--N 1.332 -0.152 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -38.74 157.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.502 2.134 . . . . 0.0 111.773 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.31 -56.04 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.131 1.887 . . . . 0.0 112.098 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -44.33 -51.03 8.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -49.14 -31.0 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.652 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 17.0 t -83.08 -48.98 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.644 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -49.34 -40.67 36.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.08 -50.85 44.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.3 tmm? -58.25 -39.12 78.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.647 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 78.1 t -79.72 -41.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.34 -51.43 66.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.197 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.18 85.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.352 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -43.94 -63.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.584 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.72 37.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -59.41 -25.93 64.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.765 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -6.22 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.645 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 41.07 90.67 0.01 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -147.11 -117.14 0.98 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.523 ' CZ3' ' OD2' ' B' ' 71' ' ' ASP . 2.9 p-90 -159.26 154.69 25.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.437 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.5 t -135.87 137.69 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.749 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.523 ' OD2' ' CZ3' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -116.31 112.68 21.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.926 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' B' ' 74' ' ' GLU . 1.0 OUTLIER -77.09 -6.87 54.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.479 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.502 ' NZ ' ' OD1' ' A' ' 71' ' ' ASP . 28.7 mtmt -41.98 -24.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 0.0 110.258 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' B' ' 72' ' ' LEU . 2.3 mm-40 -168.81 17.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.345 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 66.95 94.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.579 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -159.79 132.72 6.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.665 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . 0.4 HG21 HD13 ' B' ' 77' ' ' ILE . 0.4 OUTLIER -109.7 129.06 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.442 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -138.17 165.11 27.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.646 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.89 111.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.521 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -52.13 101.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.577 2.185 . . . . 0.0 112.119 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -115.15 155.9 26.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -171.7 147.45 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -84.36 147.43 27.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -110.23 178.31 4.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.1 114.43 7.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.528 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -100.9 113.58 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.5 ttp85 -92.82 123.44 36.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -110.3 113.21 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.5 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.7 m -105.82 162.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.423 ' CD ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -128.5 148.71 50.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.407 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.5 t -80.19 141.76 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.9 t -140.21 143.31 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.672 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.22 169.7 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.52 -138.31 2.65 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -86.96 171.3 10.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 110.682 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.2 mtm-85 -143.47 128.82 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.663 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.5 t -100.83 139.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.61 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.87 108.94 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -106.4 144.0 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.466 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -97.43 135.56 39.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.568 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.401 ' O ' ' OG ' ' B' ' 4' ' ' SER . 4.2 mt -145.22 119.55 2.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.08 111.6 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.759 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -105.63 141.62 36.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.5 p -98.56 -157.8 0.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -96.42 -45.04 6.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -41.52 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' GLU . . . 103.15 -2.32 47.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -99.49 155.23 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.692 0.282 . . . . 0.0 110.38 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -107.54 130.67 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.565 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.668 ' CG1' ' H ' ' A' ' 34' ' ' THR . 2.4 p -59.86 -95.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.668 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 32.6 m -137.76 148.73 45.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.907 0.384 . . . . 0.0 110.578 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 m -100.14 145.01 11.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.529 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -132.67 118.06 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.524 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.5 142.65 27.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.638 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.62 118.21 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.526 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.864 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 32.6 p90 -76.01 -30.9 58.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.529 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.864 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 39.9 m-20 -51.99 -64.72 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.4 -49.32 77.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.703 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -38.91 63.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.48 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.649 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 7.0 mtt180 -67.7 -47.69 68.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.485 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -67.72 -28.73 67.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -74.4 -33.03 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.82 -29.72 4.5 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -69.75 -37.6 76.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 0.0 110.558 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.51 -31.38 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.5 p -84.87 -49.35 8.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.549 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.64 -12.13 56.51 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.89 156.62 34.93 Favored Pre-proline 0 C--N 1.33 -0.245 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.379 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -38.69 157.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.415 2.077 . . . . 0.0 111.757 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.9 -50.39 0.35 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.317 2.011 . . . . 0.0 112.053 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.8 -54.23 5.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -44.84 -34.49 2.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.0 t -83.08 -47.6 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -47.19 -46.68 24.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.577 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.37 -65.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.807 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 59' ' ' MET . 7.8 tmm? -42.95 -43.28 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.43 -33.87 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -69.26 -57.89 4.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.583 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.06 -42.75 6.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.431 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -53.14 -62.7 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.21 -20.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.671 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 63' ' ' ALA . 12.3 ttt180 -80.74 -31.4 36.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.726 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -113.39 -1.92 10.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.907 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 154.61 -97.09 0.17 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 149.33 76.58 0.02 OUTLIER Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.746 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.406 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 12.2 t-105 -161.65 135.89 6.89 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -147.13 162.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -143.01 112.78 6.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.779 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.4 mp -80.63 -26.35 37.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -58.19 -20.66 43.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.237 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -142.35 5.6 1.65 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.2 ttt85 48.68 87.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.366 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -157.37 135.24 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.59 133.47 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.423 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -138.37 175.39 9.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.018 0.437 . . . . 0.0 110.729 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.69 144.01 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.239 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.427 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.626 0.25 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.14 111.18 1.86 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.828 2.352 . . . . 0.0 112.229 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -71.07 -169.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.588 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -170.57 138.21 1.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.337 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -87.09 137.06 32.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.11 132.08 54.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.641 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.64 94.39 6.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 94.4 t -77.91 111.6 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -73.98 136.73 43.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -135.98 86.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.37 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -85.16 140.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.773 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.53 94.63 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -151.8 133.0 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.077 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 t -119.79 104.35 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.42 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.25 173.5 10.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.34 169.77 22.25 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -94.0 -172.34 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.559 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -145.64 115.22 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.37 128.07 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -78.38 139.91 38.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.46 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 74.0 t -142.76 137.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.599 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -100.75 125.14 47.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 110.352 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.3 mt -134.29 123.15 42.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.39 140.57 33.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -133.44 142.68 48.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.632 ' HG1' ' H ' ' B' ' 28' ' ' GLU . 10.8 p -106.19 -66.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.632 ' H ' ' HG1' ' B' ' 27' ' ' THR . 0.6 OUTLIER -96.68 3.98 52.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 68.96 -8.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -96.99 -15.21 39.93 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.51 160.93 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.163 -0.215 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 10.5 p -122.44 128.57 75.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.547 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.669 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.5 p -64.21 -97.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.366 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.669 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 54.6 m -137.02 124.03 21.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.736 0.303 . . . . 0.0 110.454 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 m -87.52 146.98 5.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -132.8 88.67 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.523 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.76 147.51 47.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.548 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.475 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 2.5 tp10 -69.09 113.21 6.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 0.443 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 45.6 p90 -74.62 -6.66 49.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.443 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 25.6 m-20 -77.61 -64.78 1.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -58.87 -38.15 78.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . 0.475 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 74.7 m -57.39 -44.64 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.618 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -56.62 8.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.665 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -55.36 -24.06 27.49 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.648 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -76.14 -28.98 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.468 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.48 -18.8 70.17 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.1 -20.26 45.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.676 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -70.81 -53.09 16.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.744 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -88.93 -34.89 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.91 33.53 10.94 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 6.2 pt -111.15 148.55 38.93 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.499 ' C ' ' H ' ' B' ' 54' ' ' ARG . 74.4 Cg_exo -33.49 98.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.242 0 C-N-CA 122.886 2.391 . . . . 0.0 112.488 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -49.15 -7.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.191 1.927 . . . . 0.0 112.337 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.499 ' H ' ' C ' ' B' ' 52' ' ' PRO . 29.3 ttp85 -74.01 -56.75 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.501 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -55.3 -19.21 7.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.579 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 14.3 t -74.01 -54.75 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -46.5 -39.81 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.555 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.24 -61.13 2.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.543 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.479 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.0 tmm? -46.67 -51.81 15.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.423 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.479 ' N ' ' SD ' ' B' ' 59' ' ' MET . 24.7 t -58.14 -40.63 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -67.07 -53.68 28.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.493 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.93 -28.02 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.388 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -66.03 -63.19 1.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.321 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.21 -23.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' B' ' 63' ' ' ALA . 6.3 ttt180 -73.29 -44.11 59.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.526 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -102.97 -0.74 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.541 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 42.28 95.91 0.01 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.76 -162.95 20.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -105.95 165.44 11.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -147.53 132.93 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.575 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 71' ' ' ASP . 0.3 OUTLIER -91.7 127.27 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.38 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.28 -52.46 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.647 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -81.74 27.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.723 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' B' ' 75' ' ' ARG . 2.8 mt-10 -159.32 -0.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.508 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' B' ' 74' ' ' GLU . 7.6 ptp85 33.97 47.0 0.16 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.45 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -101.38 171.0 7.85 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.349 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 3.0 mt -141.59 116.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.623 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.418 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 7.6 mmtp -105.63 154.16 20.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.322 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' B' ' 80' ' ' GLN . 1.6 p -106.95 147.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.589 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' B' ' 79' ' ' VAL . 19.9 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.671 0.272 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.91 116.0 2.35 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.568 2.179 . . . . 0.0 112.124 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.18 118.51 11.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.409 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.28 151.0 37.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -79.0 146.59 33.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.619 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.26 -178.85 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.386 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.82 117.81 6.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.635 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.0 t -101.55 123.09 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.476 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -86.22 123.65 31.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.765 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.78 104.42 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.222 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 32.7 m -104.3 96.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.059 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -103.64 94.2 5.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.029 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 p -155.08 144.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.07 107.24 12.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.471 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.98 168.72 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.712 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.11 166.78 17.23 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 139.58 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.658 ' CD ' ' H ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -97.16 147.83 23.68 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.98 -179.631 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 21' ' ' SER . 55.4 t -110.25 157.39 10.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.223 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.432 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 12.3 t -100.25 128.29 46.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.788 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -135.74 152.94 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.305 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -135.52 98.29 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.387 . . . . 0.0 110.643 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mt -103.69 154.3 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.457 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.15 106.27 7.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.97 145.1 25.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.52 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.533 ' HG1' ' H ' ' A' ' 28' ' ' GLU . 1.1 p -104.77 -67.78 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.533 ' H ' ' HG1' ' A' ' 27' ' ' THR . 23.9 mt-10 -94.61 15.61 17.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.668 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 55.71 27.56 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.5 -17.03 0.52 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -139.22 146.85 40.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.685 0.279 . . . . 0.0 110.474 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 7.7 p -107.57 89.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.498 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 34' ' ' THR . 27.5 m -40.95 -45.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 33' ' ' VAL . 28.4 p -148.55 155.95 41.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.427 ' CG1' ' O ' ' A' ' 35' ' ' VAL . 7.8 p -144.7 103.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.402 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -100.47 160.03 14.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.02 146.04 27.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.439 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.84 93.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.638 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 45.1 p90 -62.1 -14.16 33.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.638 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 79.2 m-20 -77.61 -64.59 1.11 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -48.98 -24.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.408 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.1 m -74.66 -40.12 61.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.455 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -69.06 -56.7 6.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.718 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -55.48 -25.69 38.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.629 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mm -80.57 -40.19 19.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.3 -18.89 0.97 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.98 -60.22 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.344 . . . . 0.0 110.654 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.31 -12.92 1.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.502 ' HG1' ' N ' ' A' ' 50' ' ' GLY . 72.9 p -102.54 -42.49 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.628 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.502 ' N ' ' HG1' ' A' ' 49' ' ' THR . . . 102.27 -22.78 36.58 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.03 155.92 57.89 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -64.25 162.82 28.52 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.184 1.923 . . . . 0.0 112.064 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' VAL . 48.1 Cg_endo -70.54 -43.75 1.86 Allowed 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.713 2.276 . . . . 0.0 112.143 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -44.11 -43.38 6.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -26.59 66.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' PRO . 58.7 t -82.67 -52.23 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -46.46 -54.74 8.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.98 64.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' ' 59' ' ' MET . 7.8 tmm? -54.52 -34.94 62.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.705 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.6 t -74.61 -64.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -43.41 -48.7 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.489 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.86 -52.48 41.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 0.0 110.456 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.9 -53.49 56.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.382 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.6 -27.71 0.32 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.356 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -45.48 50.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.364 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -96.81 6.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.444 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.39 94.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.62 -179.08 36.99 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.493 ' HE1' ' CB ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -101.03 169.17 9.13 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.523 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.25 144.47 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.872 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 75' ' ' ARG . 35.2 m-20 -118.0 113.09 21.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.317 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 74' ' ' GLU . 6.7 mp -71.44 -61.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.805 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' B' ' 14' ' ' VAL . 11.8 mmtm -71.62 40.09 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.57 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -172.6 -19.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.6 tpt180 47.1 70.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.546 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -138.95 134.4 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.684 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -111.36 123.76 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.493 ' CB ' ' HE1' ' A' ' 69' ' ' TRP . 17.3 mmtm -139.27 135.09 33.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -46.95 174.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.58 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.512 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.733 0.302 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -51.67 116.04 2.49 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.609 2.206 . . . . 0.0 112.018 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.2 t -140.4 138.36 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -155.4 150.15 26.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.433 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -77.27 141.73 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -112.99 128.87 56.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.507 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.52 121.4 42.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.539 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.8 t -106.94 111.89 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -83.29 130.23 35.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -111.44 107.45 22.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.516 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 m -102.64 156.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.793 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.33 116.62 10.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.323 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 73' ' ' LYS . 48.3 t -80.77 133.2 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.516 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' B' ' 16' ' ' ALA . 1.9 p -140.26 130.05 28.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' B' ' 15' ' ' VAL . . . 46.35 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.614 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.07 178.16 33.82 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.08 176.54 5.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.743 0.306 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 23.6 mtm105 -145.78 125.09 13.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 0.0 110.693 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 99.9 t -102.76 139.44 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.91 132.35 35.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.523 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 16.8 t -138.26 136.02 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.42 133.46 52.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.686 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 mt -140.56 126.98 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.576 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.72 121.97 44.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.576 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -107.29 151.42 25.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.558 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.526 ' HG1' ' H ' ' B' ' 28' ' ' GLU . 2.6 p -106.07 -99.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.526 ' H ' ' HG1' ' B' ' 27' ' ' THR . 2.3 mm-40 -80.45 24.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' B' ' 27' ' ' THR . 2.0 tt0 54.79 42.66 31.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.5 -22.61 0.09 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -139.28 150.17 45.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.595 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.2 p -107.55 125.97 63.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.659 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.4 p -59.44 -93.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.659 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 1.6 m -136.71 115.93 12.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.764 0.316 . . . . 0.0 110.542 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -87.66 131.5 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.652 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -132.65 102.99 5.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.44 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.97 154.31 33.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.451 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.0 103.09 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -66.96 -10.64 51.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.45 -64.28 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.49 ' OE2' ' SG ' ' B' ' 42' ' ' CYS . 0.6 OUTLIER -57.11 -23.74 49.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.71 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . 0.49 ' SG ' ' OE2' ' B' ' 41' ' ' GLU . 91.3 m -78.13 -37.3 46.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.531 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -52.4 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.454 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.2 -42.1 94.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.49 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -66.07 -25.76 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.499 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.58 -19.4 54.15 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -83.0 -52.98 6.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.749 0.309 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.82 -29.5 66.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.741 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 65.8 p -85.8 -42.81 13.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.7 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.51 -21.52 40.67 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.56 155.83 53.6 Favored Pre-proline 0 C--N 1.33 -0.248 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.44 163.08 21.8 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.175 1.916 . . . . 0.0 112.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' B' ' 56' ' ' VAL . 39.8 Cg_endo -68.99 -45.35 2.06 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.592 2.194 . . . . 0.0 112.218 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -43.92 -32.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.794 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -78.26 -36.26 47.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.639 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' B' ' 53' ' ' PRO . 19.2 t -73.22 -23.21 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -75.79 -54.66 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.45 -25.7 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.521 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 6.1 tmm? -76.57 -52.59 9.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.632 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.521 ' N ' ' SD ' ' B' ' 59' ' ' MET . 3.7 p -72.06 -17.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -74.28 -64.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.514 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.99 -48.34 16.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.452 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -46.27 -63.05 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.613 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.13 -20.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.641 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -82.76 -28.16 30.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -118.02 4.39 7.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 146.72 -101.16 0.23 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 153.05 74.44 0.01 OUTLIER Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.1 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.443 ' CD1' ' C ' ' B' ' 69' ' ' TRP . 7.9 t-105 -151.68 136.48 17.17 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -150.13 151.06 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.134 0.492 . . . . 0.0 111.299 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.439 ' OD2' ' NE1' ' B' ' 69' ' ' TRP . 2.2 m-20 -138.28 112.54 8.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.822 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' B' ' 74' ' ' GLU . 6.1 mp -76.34 -20.84 56.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.669 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -6.25 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.663 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' B' ' 72' ' ' LEU . 0.0 OUTLIER -168.15 16.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.474 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 41.24 87.89 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.758 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -144.1 125.17 14.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.602 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.28 97.61 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.673 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.469 ' NZ ' ' OE2' ' A' ' 74' ' ' GLU . 6.8 tttt -102.18 171.75 7.31 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.135 0.493 . . . . 0.0 110.728 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.45 143.97 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.315 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.673 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 121.176 0.512 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -83.6 121.71 2.99 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.589 2.193 . . . . 0.0 112.285 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -99.61 150.1 22.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.6 mtp85 -137.35 126.85 25.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -79.49 137.99 37.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.621 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 22.0 tt0 -110.24 163.38 13.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.53 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -131.97 87.2 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 67.5 t -70.67 165.1 2.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 48.9 ttp180 -131.16 123.32 28.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.435 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -110.49 114.11 46.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -109.23 149.41 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.9 98.25 3.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 110.49 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' B' ' 73' ' ' LYS . 9.2 m -83.18 149.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.522 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 m -140.33 142.59 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 50.76 -167.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.506 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.08 -174.14 36.81 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -84.21 169.94 14.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.618 0.247 . . . . 0.0 110.656 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -140.13 121.59 15.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t -105.01 133.57 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.69 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.58 140.73 38.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.639 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.34 162.55 27.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.584 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -132.03 97.36 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.59 137.56 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.94 104.6 14.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.466 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -100.73 135.01 42.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p -99.4 -164.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -102.57 19.88 18.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -110.02 -25.43 10.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.743 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.27 38.11 3.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.09 150.63 49.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 8.5 p -107.43 95.24 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.643 ' CG1' ' H ' ' A' ' 34' ' ' THR . 2.5 p -47.55 -98.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.364 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.643 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 1.1 m -125.1 163.42 22.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.46 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -135.99 130.26 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.634 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -104.3 98.59 8.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.793 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.61 169.37 13.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.403 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.476 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 4.0 tt0 -101.92 114.19 28.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.662 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 1.078 ' HD1' ' HD2' ' A' ' 43' ' ' ARG . 33.7 p90 -66.71 -26.73 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.48 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.64 -63.74 1.0 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.97 -44.74 91.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.667 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.476 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 4.8 m -62.04 -29.33 70.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 1.078 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 76.2 mtt180 -74.98 -46.2 36.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.548 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.07 -30.01 67.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -80.35 -20.2 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.473 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.32 -18.72 79.91 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -82.88 -55.94 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.425 . . . . 0.0 110.664 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -60.08 -10.36 4.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.616 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.0 p -101.98 -36.01 8.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.88 -24.2 32.87 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -87.79 156.18 52.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -66.75 162.36 37.76 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.385 2.057 . . . . 0.0 112.131 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.72 -20.2 35.31 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.639 2.226 . . . . 0.0 112.058 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -58.84 -54.61 45.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.759 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.13 -25.74 67.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.802 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.57 -41.09 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.54 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -63.64 -54.95 27.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.32 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.529 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.6 tmm? -76.93 -40.51 46.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.595 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 t -64.82 -64.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -43.29 -56.01 3.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.93 -37.19 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.482 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.51 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.463 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.82 -20.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' ALA . 17.9 ttp180 -76.04 -46.73 27.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.434 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.77 2.1 10.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.518 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.37 95.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.79 -173.74 36.12 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.522 ' CE2' ' OE1' ' B' ' 74' ' ' GLU . 10.0 p90 -101.91 165.87 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.577 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -138.84 134.5 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.744 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -105.47 113.05 26.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' A' ' 74' ' ' GLU . 1.5 mp -62.98 -55.81 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -71.42 40.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.1 tm-20 -174.68 -12.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.461 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ASP . 16.4 ttm-85 41.88 66.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -139.18 126.14 21.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.612 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.39 102.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.497 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 79' ' ' VAL . 30.8 mmtt -104.76 117.65 34.6 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -49.32 -179.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.586 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.469 ' O ' ' CG1' ' B' ' 2' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.466 0.332 0 N-CA-C 111.398 0.148 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -84.42 102.09 0.86 Allowed 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.344 2.029 . . . . 0.0 112.196 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.49 148.7 35.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.592 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -140.29 154.7 46.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -95.54 152.5 18.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 0.0 110.433 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' B' ' 8' ' ' ASP . 42.9 tt0 -137.38 158.8 43.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.609 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.413 ' N ' ' CG ' ' B' ' 7' ' ' GLU . 1.1 m-20 -124.24 108.9 12.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.486 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -90.4 135.92 25.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -94.14 133.59 37.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.617 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 t -126.39 98.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.489 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -103.5 168.89 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.634 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.51 126.88 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.534 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.35 123.43 37.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 135.56 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.43 -177.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.23 177.36 36.11 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -94.17 168.96 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.673 0.273 . . . . 0.0 110.555 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 152.46 41.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.9 t -135.8 135.56 50.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.85 135.0 33.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.62 124.72 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -100.21 133.82 44.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.584 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 pt -139.65 129.68 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.99 111.27 23.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -98.17 135.02 40.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 72.4 p -101.23 -64.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.79 20.64 2.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 53.92 61.52 3.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.34 -57.67 0.08 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -103.11 149.17 24.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.614 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.413 ' O ' ' CG1' ' B' ' 32' ' ' VAL . 8.8 p -107.57 109.6 28.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' B' ' 34' ' ' THR . 8.8 p -42.46 -50.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.467 ' N ' ' CG1' ' B' ' 33' ' ' VAL . 6.7 m -151.2 150.3 30.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 31.8 t -104.61 141.41 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.478 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -132.8 81.84 1.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.54 160.53 28.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.492 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 1.7 mt-10 -80.59 117.21 21.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -72.09 -11.66 60.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.3 -64.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.965 0.412 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -45.92 91.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.494 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 60.0 m -52.57 -28.96 23.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.681 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -55.02 6.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.504 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' B' ' 47' ' ' GLU . 8.7 mm-40 -61.36 -50.73 71.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -47.21 -29.97 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.413 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.8 -28.53 68.79 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' B' ' 44' ' ' GLU . 16.5 tt0 -77.71 -42.31 34.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.626 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -67.27 -35.55 79.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 41.5 p -87.12 -44.4 11.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.509 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.52 28.14 7.69 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 39.4 mt -125.45 132.68 24.38 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -39.58 157.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.677 1.585 . . . . 0.0 111.745 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.76 -45.27 1.09 Allowed 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.283 1.988 . . . . 0.0 112.189 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -46.5 -49.83 17.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.07 -59.03 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 t -56.64 -58.86 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -46.59 -34.92 5.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.568 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.72 -33.63 64.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.466 ' SD ' ' O ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -74.64 -47.54 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.617 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' B' ' 63' ' ' ALA . 12.9 t -51.58 -65.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -43.47 -51.98 6.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.339 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.11 -31.01 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.382 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -66.0 -61.69 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.521 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.74 -23.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.512 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' B' ' 63' ' ' ALA . 0.0 OUTLIER -75.57 -43.71 47.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.499 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -102.1 0.31 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.638 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 41.34 94.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.88 -172.25 40.49 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.49 160.18 14.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.731 0.301 . . . . 0.0 110.549 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.4 t -125.1 151.11 30.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.415 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 2.7 m-20 -121.81 115.82 23.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.449 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -74.37 -58.01 3.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.651 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 47.8 mmtt -75.04 31.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.475 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.522 ' OE1' ' CE2' ' A' ' 69' ' ' TRP . 1.8 tm-20 -162.25 -12.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.567 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 42.06 70.66 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.644 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -137.84 157.62 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.583 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 9.9 mt -138.29 118.54 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.444 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 141.13 48.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.488 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.3 175.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.545 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.528 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.2 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.754 0.312 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -82.87 130.11 5.67 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.658 2.239 . . . . 0.0 112.198 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.19 166.46 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.715 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.84 138.15 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.483 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -80.56 144.88 32.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.806 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -136.17 145.21 45.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -110.47 123.93 50.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 60.9 t -104.04 166.61 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.479 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 4.1 ttm180 -137.25 124.8 22.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.609 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -112.17 115.3 49.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.33 96.24 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.667 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -110.62 97.14 6.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.559 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -138.37 134.19 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.636 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.438 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 1.6 m -139.77 106.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.526 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 165.16 155.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.89 177.0 32.59 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -90.37 -177.86 5.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 110.54 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.63 131.61 33.92 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.6 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.8 t -99.58 158.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.474 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.04 110.09 20.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.608 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.7 t -117.73 145.94 22.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.557 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -117.4 126.93 53.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.495 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mt -131.56 126.24 57.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.62 109.51 21.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.622 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.67 147.29 26.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.4 p -93.56 -165.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.566 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' A' ' 28' ' ' GLU . 3.5 mp0 -82.33 -22.71 35.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.53 -15.4 57.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.537 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.47 24.11 24.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -104.4 157.25 17.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.8 p -107.36 89.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -58.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.663 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 m -151.22 143.38 24.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.475 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -114.5 136.21 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.41 150.29 50.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.463 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.0 141.73 46.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.478 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 116.13 2.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.665 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CZ ' ' OD2' ' A' ' 40' ' ' ASP . 34.0 p90 -72.72 -26.59 61.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.59 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.602 ' OD2' ' CZ ' ' A' ' 39' ' ' PHE . 1.5 m-20 -67.7 -64.5 0.85 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.756 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' OE1' ' SG ' ' A' ' 42' ' ' CYS . 1.8 pp20? -53.51 -28.26 30.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 1.2 m -75.61 -36.41 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.636 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.426 ' O ' ' OE2' ' A' ' 47' ' ' GLU . 1.2 mtp85 -72.27 -48.11 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.502 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.97 -42.42 99.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.429 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.4 mm -62.26 -29.05 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.378 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -65.23 -29.94 76.56 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' A' ' 43' ' ' ARG . 2.3 mp0 -72.72 -37.64 67.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.699 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -76.52 -32.83 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 45' ' ' ILE . 2.7 p -89.47 -49.65 6.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.607 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . 100.78 31.9 5.56 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.2 mt -125.51 132.59 24.35 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -39.2 157.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.85 1.7 . . . . 0.0 111.822 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.23 -48.41 0.63 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.145 1.897 . . . . 0.0 112.129 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -51.74 -47.31 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.539 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.69 -41.36 99.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.656 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.4 t -70.87 -25.08 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.405 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -77.21 -31.45 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.616 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.78 -22.07 34.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.598 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 59' ' ' MET . 8.5 tmm? -77.84 -48.49 16.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.6 p -74.97 -28.88 21.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.438 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.9 tm-20 -62.21 -64.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.438 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -48.7 -43.49 37.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.361 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -54.32 -46.25 72.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.692 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.89 -20.13 61.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.563 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.84 -37.83 34.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.833 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.79 -9.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 159.36 -96.28 0.15 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.87 76.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.918 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.531 ' CZ2' ' OD1' ' A' ' 71' ' ' ASP . 83.6 t90 -152.88 135.51 15.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.436 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 79.4 t -155.65 149.17 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.092 0.472 . . . . 0.0 111.4 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.531 ' OD1' ' CZ2' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -145.41 111.75 5.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.551 178.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' GLU . 8.7 mp -66.45 -7.57 20.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.181 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -27.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.329 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -173.67 33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.315 179.737 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 57.24 85.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.55 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -135.53 146.53 48.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.6 mt -136.87 120.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -142.03 -171.91 3.46 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -104.54 143.73 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.46 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' B' ' 2' ' ' VAL . 7.2 p . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 120.637 0.256 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -51.62 139.81 47.0 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.573 2.182 . . . . 0.0 111.996 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.19 138.57 38.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.526 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -143.28 142.52 31.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -93.76 153.84 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.646 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -130.21 136.24 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.452 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.15 120.8 39.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.517 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 60.7 t -101.66 120.03 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.704 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -84.51 128.23 34.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.377 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -127.07 126.75 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.674 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.37 176.69 8.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -168.41 93.45 0.34 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.992 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -155.27 115.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 t -91.42 119.22 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.685 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -178.78 173.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.53 157.98 9.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 29.8 m95 -91.53 -176.27 4.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.29 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -145.48 144.91 30.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 t -139.34 144.24 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.492 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.86 149.33 23.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.427 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.83 140.27 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.626 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -115.68 97.47 6.15 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 pp -106.63 128.35 61.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.744 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.84 138.34 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.623 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -132.86 140.75 48.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.73 -161.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.412 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -100.92 22.14 12.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.671 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -110.83 -21.42 12.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.798 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.02 6.38 45.75 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.63 160.8 14.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.51 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 88.3 t -107.54 111.99 38.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.562 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.666 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.5 p -56.78 -97.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.666 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 5.0 m -143.76 118.05 9.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.811 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.19 143.75 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -132.69 94.55 3.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.77 142.0 58.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.649 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.64 119.58 2.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.456 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 0.801 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 39.7 p90 -72.56 -20.11 61.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.801 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 53.3 m-20 -71.57 -64.56 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.458 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -54.63 -44.45 73.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 23.3 m -61.26 -38.89 88.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' B' ' 39' ' ' PHE . 13.3 mmt85 -68.44 -50.85 49.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.66 -31.96 72.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.504 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' B' ' 48' ' ' GLU . 1.3 mm -76.24 -33.57 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.81 -24.45 1.89 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -76.67 -34.57 58.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 110.561 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 45' ' ' ILE . 7.1 mm-40 -72.61 -26.43 61.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -88.54 -49.05 7.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.685 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.4 -12.66 56.95 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -99.74 156.48 35.3 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -38.51 157.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.44 2.093 . . . . 0.0 111.85 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -71.21 -53.0 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.348 2.032 . . . . 0.0 112.098 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -43.95 -44.75 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -48.81 -57.89 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 59' ' ' MET . 51.1 t -60.25 -48.68 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.646 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -46.12 -42.22 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.724 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.88 -23.97 58.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.636 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -77.04 -63.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.13 -28.14 10.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -68.73 -49.19 60.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.477 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.76 -31.46 38.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -62.56 -61.76 2.21 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.449 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.84 -27.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -68.22 -44.28 76.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.596 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.54 -1.44 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.789 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 50.21 98.2 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.22 -148.35 6.5 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -134.43 171.23 14.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.745 0.307 . . . . 0.0 110.692 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' B' ' 71' ' ' ASP . 42.1 t -132.2 155.35 41.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.729 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.52 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.0 OUTLIER -136.6 112.78 9.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.423 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -80.68 -20.36 43.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -48.74 -30.77 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.617 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -156.47 30.97 0.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 42.88 87.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -138.43 153.54 48.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 9.1 mt -140.39 131.9 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.648 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -141.47 169.08 18.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.45 -162.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.572 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.928 0.394 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.72 90.26 0.95 Allowed 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.725 2.283 . . . . 0.0 112.274 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -91.74 151.16 20.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.386 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -162.11 148.39 13.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -77.52 146.32 36.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.629 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -110.57 138.6 46.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.507 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.83 99.5 8.63 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.607 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.5 t -79.44 112.2 17.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.614 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 ttp-105 -76.82 123.52 26.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.605 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -115.66 108.44 25.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.147 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 26.7 m -101.16 96.06 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.897 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.458 HE22 ' CG2' ' B' ' 49' ' ' THR . 2.5 mt-30 -111.28 94.98 5.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.173 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.5 m -151.87 150.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.666 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.31 106.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 175.91 149.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.511 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.26 -156.6 21.56 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -82.9 -175.44 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.687 0.279 . . . . 0.0 110.576 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -147.72 144.19 28.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.32 143.72 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.474 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.51 132.93 35.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 t -142.89 129.91 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.649 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -94.16 141.52 28.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.693 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 mt -145.12 130.24 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.53 101.79 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.23 143.7 39.99 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.559 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -100.78 -137.71 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.589 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 30' ' ' GLY . 3.1 mt-10 -100.67 -27.79 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.481 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 0.8 OUTLIER -78.22 16.72 0.72 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.504 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . 52.65 33.89 42.51 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.92 141.61 33.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.706 0.289 . . . . 0.0 110.497 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.44 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 9.2 p -107.5 105.76 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.664 ' CG1' ' H ' ' A' ' 34' ' ' THR . 2.5 p -61.0 -95.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.664 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 59.8 p -120.88 132.6 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.584 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.55 139.68 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 143.0 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.3 142.03 41.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.38 116.49 4.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.658 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -67.71 -9.2 41.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.19 -64.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.464 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.77 -29.61 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.455 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -37.5 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.749 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.414 ' O ' ' OE1' ' A' ' 47' ' ' GLU . 58.3 mtt-85 -74.77 -56.66 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -51.71 -25.96 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.57 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -75.61 -35.83 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.595 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -58.68 -18.69 39.44 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -78.37 -32.79 49.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.828 0.347 . . . . 0.0 110.66 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 2.5 mp0 -77.46 -30.75 53.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.3 p -93.68 -50.18 5.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.87 33.69 7.69 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.717 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.38 155.19 72.04 Favored Pre-proline 0 N--CA 1.463 0.193 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -35.78 100.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.278 0 C-N-CA 122.773 2.315 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -49.54 -21.12 4.81 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.181 1.921 . . . . 0.0 112.071 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -65.53 -51.2 61.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.13 -39.87 87.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.401 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.08 -45.35 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -60.6 -42.22 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.478 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.37 -19.89 60.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.5 tmm? -82.33 -56.23 4.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.565 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.409 ' N ' ' SD ' ' A' ' 59' ' ' MET . 2.2 p -64.81 -13.71 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -81.85 -49.62 10.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.2 -47.73 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.17 -63.14 1.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.61 -24.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.479 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 63' ' ' ALA . 3.6 ttp180 -69.7 -46.83 65.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.42 14.4 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 52.23 100.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.0 167.33 39.71 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -101.11 174.38 6.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.433 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 t -140.5 134.14 33.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.819 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 75' ' ' ARG . 5.8 m-20 -107.99 113.07 25.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.29 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 74' ' ' GLU . 4.8 mp -70.45 -42.44 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -73.09 14.91 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.702 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.6 tt0 -152.03 -11.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.526 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' ASP . 6.8 mmt180 43.27 53.89 5.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.467 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -136.46 138.16 41.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.506 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.55 145.81 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 148.49 38.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.611 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.02 141.14 15.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.546 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 121.146 0.498 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.64 124.22 3.5 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.684 2.256 . . . . 0.0 112.279 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -94.83 143.9 26.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.451 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -150.71 142.4 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -97.27 152.45 18.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -110.32 159.69 17.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.88 84.99 2.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.617 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.35 120.77 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.364 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 10.5 ttm105 -98.78 123.41 43.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.813 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -105.55 102.06 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.369 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.462 ' O ' ' CG2' ' B' ' 12' ' ' VAL . 21.8 m -92.33 106.6 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.708 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.454 ' N ' ' OE1' ' B' ' 13' ' ' GLN . 1.9 mp0 -118.48 95.02 4.69 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.284 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.71 155.34 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.705 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 p -140.3 104.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.636 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 173.14 153.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.01 -162.91 27.78 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -90.65 -168.35 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.292 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -137.28 136.17 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.6 t -106.73 153.6 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 13.7 t -102.52 116.63 33.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.644 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.8 t -134.17 155.68 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -123.78 127.45 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.668 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.6 mt -136.01 126.36 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.365 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.91 152.0 21.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.654 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -133.5 160.5 37.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.541 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.21 144.6 42.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.653 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -89.68 26.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.23 13.99 24.07 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.378 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.36 26.24 55.21 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -139.57 137.13 35.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.686 0.279 . . . . 0.0 110.511 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.3 m -107.63 127.59 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.514 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.661 ' CG1' ' H ' ' B' ' 34' ' ' THR . 9.6 t -63.22 -163.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.857 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.661 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 0.0 OUTLIER -112.81 163.51 14.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.969 0.414 . . . . 0.0 110.994 -179.417 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.76 143.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.534 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -131.4 89.65 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.39 160.35 29.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.635 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.79 124.01 30.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.715 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 0.833 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 40.5 p90 -67.91 -16.48 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.73 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.833 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 16.8 m-20 -76.54 -64.14 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.639 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.488 ' OE1' ' SG ' ' B' ' 42' ' ' CYS . 1.3 pp20? -55.35 -25.58 35.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.465 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . 0.488 ' SG ' ' OE1' ' B' ' 41' ' ' GLU . 55.8 m -75.77 -31.23 59.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.457 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -81.38 -40.27 23.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -70.23 -38.61 75.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.4 mm -65.39 -24.96 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.86 -50.65 10.56 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -47.62 -23.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.492 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -79.09 -40.88 30.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.627 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.458 ' CG2' HE22 ' A' ' 13' ' ' GLN . 62.1 p -86.55 -50.03 7.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.46 33.69 5.56 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.502 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.419 ' CD1' ' NH1' ' B' ' 75' ' ' ARG . 0.7 OUTLIER -123.97 155.98 66.45 Favored Pre-proline 0 C--N 1.331 -0.202 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -35.0 99.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.893 2.395 . . . . 0.0 112.423 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -49.93 -19.9 4.39 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.228 1.952 . . . . 0.0 111.993 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -69.5 -54.57 13.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.583 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.24 -25.65 61.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -68.54 -39.47 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.591 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -65.08 -35.63 81.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.716 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.09 -11.77 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.0 tmm? -82.76 -47.77 11.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 p -75.87 -25.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -69.94 -51.33 33.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.81 -53.39 55.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.5 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -53.55 -60.54 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.536 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.43 -29.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.477 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -66.6 -42.47 86.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.357 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -103.29 -0.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.665 179.746 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 58.79 96.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.83 177.16 37.34 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.7 OUTLIER -101.17 174.1 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.374 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 t -138.06 143.52 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.933 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.0 OUTLIER -132.93 113.07 12.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.045 179.417 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -78.45 -31.67 48.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.616 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -63.11 -5.24 2.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.486 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' B' ' 76' ' ' GLU . 1.6 tt0 -148.28 -4.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.546 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' B' ' 71' ' ' ASP . 7.8 mmt180 52.01 62.26 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.48 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 74' ' ' GLU . 0.4 OUTLIER -127.88 169.23 14.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.445 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 21.4 mt -131.01 85.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.379 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 69' ' ' TRP . 0.2 OUTLIER -64.83 132.72 50.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.691 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 6.3 p -101.69 143.1 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.438 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.413 ' CG ' ' HE1' ' B' ' 69' ' ' TRP . 37.7 mt-30 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 7.4 p . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.59 0.233 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -83.6 100.61 0.89 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.818 2.345 . . . . 0.0 112.178 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -178.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -166.41 133.51 2.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -96.41 148.83 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.35 162.75 14.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.86 96.96 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.618 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.9 t -87.95 121.42 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -89.65 123.33 33.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 t -105.99 114.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.261 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 m -98.13 134.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.29 95.13 3.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.002 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -112.43 151.74 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 p -105.58 144.9 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.458 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -38.73 141.6 0.26 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.26 -91.88 1.39 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 19' ' ' ARG . 40.2 t-105 -96.55 162.61 13.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.701 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 3.4 mtt180 -150.57 135.84 17.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 21' ' ' SER . 47.6 t -95.4 157.7 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.451 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 22.9 t -105.15 132.29 51.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.7 t -142.99 139.25 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.2 106.92 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.512 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.7 mt -107.81 135.56 46.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.84 99.15 8.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.493 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -100.44 137.61 38.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 28' ' ' GLU . 30.4 p -100.97 -66.66 0.9 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' A' ' 30' ' ' GLY . 4.3 mm-40 -87.12 21.7 2.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 59.4 2.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -136.77 18.84 3.56 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -139.48 146.57 40.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 110.443 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 7.2 p -130.65 89.21 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.406 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.505 ' CG2' ' H ' ' A' ' 34' ' ' THR . 34.9 m -51.18 -56.02 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.114 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.505 ' H ' ' CG2' ' A' ' 33' ' ' VAL . 59.5 p -147.38 163.62 35.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.38 145.15 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.48 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -132.64 116.52 16.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.691 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.46 158.18 15.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.93 127.54 33.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.635 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.866 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 32.3 p90 -78.56 -25.68 45.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.741 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.866 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.89 -64.43 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -53.63 -38.44 64.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.1 m -70.85 -25.03 62.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 39' ' ' PHE . 14.0 mmm-85 -81.63 -31.17 32.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.96 -38.1 23.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.668 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -25.13 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.498 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.9 -22.99 74.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -82.84 -31.08 28.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 1.1 mm-40 -84.09 -24.69 30.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.556 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -98.38 -47.8 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.64 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.38 32.04 5.03 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mt -125.38 125.61 25.12 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -40.55 156.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.77 1.647 . . . . 0.0 111.735 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.28 -41.6 6.71 Favored 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 122.379 2.053 . . . . 0.0 112.341 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.2 mmm-85 -53.82 -56.64 15.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.356 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.98 -40.57 85.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.15 -57.24 12.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -45.86 -43.16 13.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.71 84.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 59' ' ' MET . 4.4 tmm? -71.09 -48.94 49.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.465 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.435 ' N ' ' SD ' ' A' ' 59' ' ' MET . 97.8 t -71.99 -23.0 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -75.04 -60.59 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.88 -48.16 8.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.385 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' VAL . . . -52.52 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.692 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.73 -20.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' ALA . 31.0 ttp85 -80.83 -36.11 31.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.7 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -107.73 -2.83 10.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 155.51 -96.04 0.15 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 149.66 77.03 0.02 OUTLIER Glycine 0 CA--C 1.527 0.837 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.496 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.493 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 5.7 t-105 -159.69 136.35 9.2 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 71' ' ' ASP . 57.0 t -148.11 164.88 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 0.0 111.467 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.472 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 35.3 m-20 -143.38 113.07 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.415 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 74' ' ' GLU . 5.9 mp -75.01 -62.67 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.53 -178.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -60.2 1.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.231 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' A' ' 72' ' ' LEU . 8.3 mm-40 -131.38 -7.71 3.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.487 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 mmm-85 43.57 68.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.528 ' OE2' ' NZ ' ' A' ' 78' ' ' LYS . 7.2 mm-40 -145.79 124.36 12.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.603 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.7 mt -103.86 125.89 58.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.378 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.528 ' NZ ' ' OE2' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -147.4 -166.56 2.55 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.79 143.59 20.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.359 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.57 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.58 0.229 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -84.15 130.87 4.88 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.89 2.393 . . . . 0.0 112.244 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 54.2 p -108.97 150.99 26.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -155.76 148.37 23.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.482 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -86.33 141.77 28.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.732 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -110.32 137.83 47.51 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.466 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.96 101.9 12.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.67 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.05 112.73 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -67.62 137.26 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.2 t -140.34 91.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.454 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 m -112.12 151.44 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.59 98.2 3.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.085 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.425 ' O ' ' OE2' ' A' ' 74' ' ' GLU . 80.5 t -152.09 153.12 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.878 0.37 . . . . 0.0 110.697 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 p -140.3 142.08 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.11 -177.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.11 -63.49 0.12 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.81 -169.96 2.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.785 0.326 . . . . 0.0 110.515 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -144.1 124.98 14.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.611 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -116.75 119.43 61.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.479 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -81.99 152.47 26.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.668 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -137.86 164.24 28.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.55 110.24 9.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 mt -138.25 125.93 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.44 101.7 13.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -92.19 145.8 24.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p -100.11 -142.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 30' ' ' GLY . 9.0 mt-10 -100.68 -57.82 2.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.643 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -41.48 -22.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.739 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 28' ' ' GLU . . . 91.04 56.56 1.7 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -136.9 161.03 37.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.65 0.262 . . . . 0.0 110.631 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' B' ' 32' ' ' VAL . 8.0 p -107.4 93.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.556 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.2 -57.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.05 163.15 39.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.602 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.71 126.08 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.461 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -132.57 94.57 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.614 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.47 146.15 36.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.463 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 1.6 tt0 -54.21 108.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.328 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 1.296 ' CD1' ' NH1' ' B' ' 43' ' ' ARG . 40.0 p90 -69.83 -18.71 63.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.733 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.18 -64.35 0.93 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.7 -23.75 44.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.662 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . 0.463 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 99.9 m -77.85 -28.79 50.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 1.296 ' NH1' ' CD1' ' B' ' 39' ' ' PHE . 6.8 mtm180 -81.74 -29.64 32.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.406 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.422 ' O ' ' OE2' ' B' ' 48' ' ' GLU . 2.5 tt0 -81.46 -47.45 13.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.689 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -56.0 -20.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.33 -18.9 70.37 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -85.0 -20.31 30.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.602 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' B' ' 44' ' ' GLU . 0.4 OUTLIER -73.43 -41.79 62.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.667 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 1.5 m -92.31 -34.39 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.777 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.67 33.42 5.06 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 pt -122.53 148.34 52.67 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -59.42 163.67 12.25 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.883 1.722 . . . . 0.0 112.139 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . 0.498 ' O ' ' N ' ' B' ' 56' ' ' VAL . 55.3 Cg_endo -71.66 -48.21 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.725 2.283 . . . . 0.0 112.389 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -43.71 -27.68 0.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' B' ' 75' ' ' ARG . 22.1 mm-40 -75.65 -33.7 60.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.688 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' B' ' 53' ' ' PRO . 15.7 t -80.32 -58.33 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.498 ' NZ ' ' OE2' ' B' ' 61' ' ' GLU . 23.5 tttp -45.88 -41.78 11.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.02 -39.53 83.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.786 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -73.8 -61.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 16.9 t -41.33 -70.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.498 ' OE2' ' NZ ' ' B' ' 57' ' ' LYS . 33.7 mt-10 -43.46 -58.96 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.797 0.332 . . . . 0.0 110.535 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.78 -35.7 1.99 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.338 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -69.6 -59.95 2.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.583 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.39 -20.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' B' ' 63' ' ' ALA . 10.5 ttp85 -80.14 -47.3 14.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.786 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -98.7 1.16 10.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.692 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 48.08 99.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.13 175.6 42.85 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 5.6 m0 -100.95 162.66 12.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.69 0.281 . . . . 0.0 110.539 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.79 133.96 63.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.7 OUTLIER -102.1 112.93 25.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.18 179.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.419 ' C ' ' H ' ' B' ' 74' ' ' GLU . 3.2 mt -74.85 -30.82 61.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -0.53 2.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.819 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.7 tp10 -163.4 11.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' B' ' 71' ' ' ASP . 74.5 mtp180 40.83 46.4 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -107.3 179.09 4.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.09 157.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.627 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.55 146.41 28.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 3.9 t -84.63 140.16 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.572 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.616 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -53.54 167.65 0.88 Allowed 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.076 1.85 . . . . 0.0 111.945 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.91 150.82 30.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.618 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -153.78 151.78 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -102.63 153.59 19.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.94 130.51 48.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.69 97.98 8.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.649 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 t -75.04 117.57 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.436 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -97.81 123.25 41.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.52 101.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.0 m -91.65 111.9 24.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -107.25 94.5 5.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.164 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.42 153.56 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.718 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 2.0 p -139.41 116.5 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.564 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 163.39 172.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.541 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.11 176.97 39.0 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -98.78 -176.68 3.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.821 0.343 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -144.49 118.08 9.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.9 t -103.64 147.79 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.458 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.36 140.26 38.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.593 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.3 t -142.94 145.17 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.488 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -107.07 134.96 49.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.559 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.9 mt -139.31 134.51 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.06 100.54 9.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.661 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -105.89 139.1 40.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.659 ' HG1' ' H ' ' A' ' 28' ' ' GLU . 27.5 p -100.67 -97.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.474 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.659 ' H ' ' HG1' ' A' ' 27' ' ' THR . 5.0 mt-10 -61.67 -5.04 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 28' ' ' GLU . 9.6 tt0 78.43 -6.82 1.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.96 -18.83 21.28 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -139.54 141.48 37.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.726 0.298 . . . . 0.0 110.64 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.2 p -108.07 113.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.634 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.539 ' CG1' ' H ' ' A' ' 34' ' ' THR . 7.5 p -52.62 -59.28 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.539 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -151.14 163.64 38.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.649 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.93 150.07 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.416 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -132.63 174.79 9.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.444 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.37 121.17 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.474 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 5.2 tp10 -52.34 118.07 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.53 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -76.77 -9.65 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.725 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -64.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -58.65 -39.06 79.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.582 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 73.0 m -61.16 -32.74 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -80.29 -55.86 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.501 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -24.46 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.3 mm -76.48 -34.12 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.81 -27.54 13.54 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -74.62 -23.46 58.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 0.0 110.548 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -86.85 -32.65 20.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.617 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.609 ' HG1' ' H ' ' A' ' 50' ' ' GLY . 66.1 p -88.06 -49.69 6.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.461 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.609 ' H ' ' HG1' ' A' ' 49' ' ' THR . . . 102.47 -16.11 55.36 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.615 ' CD1' HH22 ' A' ' 75' ' ' ARG . 0.6 OUTLIER -89.68 156.46 47.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.467 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -38.81 157.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.466 2.111 . . . . 0.0 111.929 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.33 -49.44 0.29 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.288 1.992 . . . . 0.0 111.963 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -45.7 -54.63 7.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.39 -35.11 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.587 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.65 -34.22 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -71.3 -48.65 49.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.501 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.09 68.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 60' ' ' VAL . 9.3 tmm? -75.86 -57.17 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.409 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.473 ' N ' ' SD ' ' A' ' 59' ' ' MET . 1.4 p -61.52 -14.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -77.66 -53.57 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.43 -36.8 34.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.394 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -62.76 -62.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.52 -21.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.616 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -75.0 -47.55 28.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.5 2.23 10.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.747 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 46.4 98.16 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.35 -142.34 3.37 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.467 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -138.85 174.04 10.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.564 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -149.74 150.21 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.796 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -126.58 112.74 15.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.046 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.83 -21.64 65.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -39.12 0.52 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' CD ' ' HE1' ' B' ' 69' ' ' TRP . 5.4 mt-10 -152.35 16.59 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.536 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.615 HH22 ' CD1' ' A' ' 51' ' ' ILE . 12.9 tpp180 60.1 83.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.549 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -134.62 125.81 27.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.631 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt -111.03 125.8 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.656 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -142.3 -174.95 4.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.9 p -100.77 -42.45 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.444 ' O ' ' CD1' ' A' ' 69' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.691 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.605 0.24 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.48 161.56 14.8 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.78 2.32 . . . . 0.0 112.126 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 53.6 p -133.57 151.17 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.624 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.52 HH11 ' CD ' ' B' ' 7' ' ' GLU . 6.0 ptm180 -153.14 138.02 17.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.527 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.421 ' CD1' ' OD2' ' B' ' 8' ' ' ASP . 49.7 p90 -79.34 146.48 32.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.52 ' CD ' HH11 ' B' ' 5' ' ' ARG . 3.7 tp10 -110.24 128.22 55.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.568 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.421 ' OD2' ' CD1' ' B' ' 6' ' ' PHE . 40.9 m-20 -99.28 101.07 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' B' ' 10' ' ' ARG . 61.1 t -85.02 165.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.463 ' N ' ' CG1' ' B' ' 9' ' ' VAL . 24.0 ttm-85 -135.89 135.38 39.67 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.504 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.36 98.35 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.3 m -93.39 150.02 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.615 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -148.6 94.67 2.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.255 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -82.91 155.56 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.699 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -113.0 144.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.523 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.93 152.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.519 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.42 -109.36 0.83 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -77.55 167.07 22.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.867 0.365 . . . . 0.0 110.447 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -142.01 138.59 31.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.583 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -118.96 130.51 73.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.567 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.15 138.23 33.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.703 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 96.4 t -140.46 153.96 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.6 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -134.42 97.32 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 pt -108.43 134.81 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.39 111.53 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.616 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.18 136.04 41.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.522 ' C ' ' H ' ' B' ' 29' ' ' GLU . 40.9 p -100.3 -76.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.531 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -73.89 19.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.646 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.522 ' H ' ' C ' ' B' ' 27' ' ' THR . 4.9 mt-10 58.48 21.58 8.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.513 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.42 -41.74 0.05 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.7 142.86 32.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 110.714 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' B' ' 32' ' ' VAL . 11.2 p -107.49 113.15 42.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.545 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -57.92 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.667 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -151.32 147.73 27.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.572 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 5.6 t -102.92 141.45 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.669 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -132.75 82.3 1.99 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.716 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.7 151.11 34.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.517 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.8 119.94 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 1.057 ' CD1' ' NH2' ' B' ' 43' ' ' ARG . 23.7 p90 -78.11 -38.15 44.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.657 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.605 ' OD2' ' CZ ' ' B' ' 39' ' ' PHE . 1.2 m-20 -45.4 -60.23 2.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.92 -59.1 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.644 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 m -48.91 -26.59 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 1.057 ' NH2' ' CD1' ' B' ' 39' ' ' PHE . 82.8 mtt180 -81.96 -34.17 29.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.09 -25.97 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.856 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -26.46 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.902 0.382 . . . . 0.0 110.782 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.5 -18.79 66.08 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -87.77 -20.13 26.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -95.82 1.32 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 81.8 p -132.2 -25.29 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.07 -27.08 19.95 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.6 mm -60.62 133.03 91.43 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -68.95 154.24 71.18 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.428 1.418 . . . . 0.0 112.2 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -43.03 -62.64 0.41 Allowed 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.719 2.279 . . . . 0.0 113.273 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -43.14 -57.71 2.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.744 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -51.03 -56.1 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.841 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.29 -56.7 14.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.615 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' B' ' 61' ' ' GLU . 28.3 ttpt -45.93 -42.78 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -59.19 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 54.5 tpp -54.21 -44.26 71.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.732 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 4.8 t -56.12 -67.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.489 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' B' ' 57' ' ' LYS . 12.0 mt-10 -43.32 -47.81 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.268 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.29 -38.94 4.18 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.243 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -64.2 -56.45 14.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.244 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.71 -20.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' B' ' 63' ' ' ALA . 1.5 ttt85 -80.69 -47.32 14.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -100.76 3.96 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.768 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 40.81 94.09 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.49 -169.4 34.34 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 1.7 p-90 -105.62 174.41 5.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 110.334 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 71.4 t -145.39 134.97 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' B' ' 75' ' ' ARG . 52.7 t0 -110.26 112.98 25.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.907 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' B' ' 74' ' ' GLU . 0.5 OUTLIER -76.34 -43.4 41.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.052 -179.689 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -6.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.572 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' B' ' 72' ' ' LEU . 41.0 mt-10 -139.26 -12.45 1.2 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.476 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' B' ' 71' ' ' ASP . 3.3 ttt85 57.11 70.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -146.17 151.87 38.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.58 125.36 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -127.64 144.99 51.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.68 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.415 ' O ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -67.81 -176.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.591 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.506 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 8.4 p . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 111.263 0.097 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -83.93 140.58 9.08 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 122.182 1.922 . . . . 0.0 112.275 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.3 p -103.14 138.13 40.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.433 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -108.19 143.45 36.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -103.44 136.62 42.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.585 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 29.0 tt0 -118.03 162.86 17.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.358 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 0.4 OUTLIER -130.57 113.9 14.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.4 t -100.92 130.29 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -92.63 123.17 35.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.03 101.02 8.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.7 m -81.35 142.94 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.495 ' C ' ' HZ2' ' B' ' 73' ' ' LYS . 59.8 mt-30 -147.63 95.22 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.254 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.13 136.06 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.74 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 11.9 p -140.35 114.71 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.707 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 15' ' ' VAL . . . 165.63 153.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.38 -166.41 39.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -90.18 -177.08 5.05 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.802 0.334 . . . . 0.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' CZ ' ' NH1' ' B' ' 10' ' ' ARG . 57.6 mtt-85 -135.37 150.06 49.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.491 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.417 ' CG2' ' OE1' ' A' ' 41' ' ' GLU . 86.2 t -126.92 145.25 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.405 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.2 m -100.72 109.71 21.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.39 148.28 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -133.18 112.26 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 pt -131.38 142.62 42.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.574 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.54 142.34 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -133.48 143.34 48.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.593 ' HG1' ' H ' ' A' ' 28' ' ' GLU . 19.8 p -92.37 -87.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.593 ' H ' ' HG1' ' A' ' 27' ' ' THR . 2.2 mt-10 -89.34 20.73 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 62.45 -0.36 0.53 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.673 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -104.79 -19.02 11.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -136.74 136.52 39.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.671 0.272 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 p -107.42 130.42 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.646 ' CG1' ' H ' ' A' ' 34' ' ' THR . 2.6 p -66.74 -100.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.646 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 6.1 t -122.12 144.01 49.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.627 0.251 . . . . 0.0 110.569 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.8 t -99.47 137.11 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.601 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -132.81 106.53 7.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.413 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.59 138.14 36.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 5.0 mt-10 -49.89 109.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -78.17 -16.48 57.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -74.84 -45.94 39.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.759 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.498 ' OE2' ' SG ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -75.12 -23.47 57.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.542 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.498 ' SG ' ' OE2' ' A' ' 41' ' ' GLU . 73.7 m -81.55 -18.4 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -32.62 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.591 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.9 -34.38 26.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.533 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -24.49 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.97 -32.15 79.03 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -65.52 -26.83 68.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.471 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.76 -21.2 32.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.1 p -91.75 -44.14 9.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.519 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.06 -20.01 51.95 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.41 156.31 56.67 Favored Pre-proline 0 C--N 1.33 -0.265 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -39.51 158.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.355 2.036 . . . . 0.0 111.753 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.85 -54.52 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.348 2.032 . . . . 0.0 112.053 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -45.37 -47.14 13.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.494 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -43.98 -51.88 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 59' ' ' MET . 56.9 t -56.73 -51.16 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.504 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -46.05 -53.33 10.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.52 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.3 -16.24 63.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.471 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -82.0 -51.93 7.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.749 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.2 p -76.16 -11.09 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' OE1' ' NH1' ' A' ' 65' ' ' ARG . 1.2 tm-20 -80.25 -55.19 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.451 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.89 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.446 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -50.07 -59.69 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.63 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.722 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.486 ' NH1' ' OE1' ' A' ' 61' ' ' GLU . 13.8 ttm-85 -70.07 -32.87 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.624 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ALA . 3.4 m -106.0 -7.16 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 49.43 87.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.2 -149.43 4.97 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.528 ' O ' ' CD1' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -132.8 154.9 49.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.669 0.271 . . . . 0.0 110.622 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.1 t -129.98 146.65 33.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.698 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.52 ' OD2' ' CH2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -131.19 113.28 13.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.313 179.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 mp -67.75 -58.86 3.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.584 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -75.14 47.88 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.636 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -172.67 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.418 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 56.31 66.17 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.76 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -137.61 138.27 39.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.7 mt -135.33 96.25 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.579 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 174.33 5.92 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 80' ' ' GLN . 3.1 p -102.27 157.13 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.576 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' GLY . 3.9 tt0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.525 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.67 0.272 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.36 138.53 46.61 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.622 2.215 . . . . 0.0 111.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 44.3 p -124.9 143.63 50.75 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.88 146.05 31.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.616 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -99.05 151.39 21.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.44 ' N ' ' CD ' ' B' ' 7' ' ' GLU . 4.3 mm-40 -110.39 175.41 5.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.34 86.1 1.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.531 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' B' ' 10' ' ' ARG . 58.3 t -81.4 164.85 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.557 ' NH1' ' CZ ' ' A' ' 19' ' ' ARG . 13.9 ttm180 -137.57 123.31 19.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.663 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.74 105.8 19.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 16.1 m -99.25 151.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.717 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.97 95.32 2.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 p -154.18 154.09 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.22 107.73 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.74 169.54 2.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.54 166.14 26.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -96.97 -169.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -149.28 154.26 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -132.1 155.05 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.637 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 18.6 t -105.42 115.74 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.438 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.64 143.82 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.353 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -109.61 127.75 54.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.618 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -133.33 124.32 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.457 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.97 134.69 44.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -133.41 126.31 30.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.6 p -76.66 -179.15 5.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -88.33 20.67 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -117.11 26.5 9.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.719 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 54.75 11.83 3.14 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -99.58 145.85 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.508 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 9.8 p -107.57 120.8 59.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.493 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.654 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.4 p -61.54 -96.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.654 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 6.6 m -146.86 136.54 23.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.782 0.325 . . . . 0.0 110.691 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -79.34 130.85 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.451 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -132.59 99.12 4.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.592 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.66 136.85 39.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -41.77 120.13 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.434 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -76.26 -10.12 59.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -75.57 -64.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.718 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -61.33 -46.41 90.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 93.8 m -53.94 -36.91 63.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.559 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -80.37 -50.6 9.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.391 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.48 -26.07 53.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.489 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 26.9 mt -74.05 -44.11 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.545 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' B' ' 50' ' ' GLY . . . -54.98 -22.9 29.5 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -77.06 -34.13 57.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 110.613 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -83.5 -25.43 31.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.575 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -100.03 -37.38 9.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' B' ' 46' ' ' GLY . . . 102.42 -26.88 22.67 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.2 mm -60.36 132.43 90.57 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -39.93 157.41 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.223 0 C-N-CA 121.795 1.663 . . . . 0.0 111.795 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.52 -57.04 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.265 1.977 . . . . 0.0 112.128 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -45.48 -56.84 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.456 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -46.77 -59.25 3.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.705 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 83.8 t -48.09 -49.92 11.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.634 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -51.04 -30.98 17.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.81 -24.05 33.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.586 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' B' ' 59' ' ' MET . 7.5 tmm? -74.64 -56.63 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 4.0 p -64.53 -34.61 70.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.755 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' B' ' 62' ' ' ALA . 4.6 tm-20 -57.97 -60.31 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.352 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.442 ' N ' ' CD ' ' B' ' 61' ' ' GLU . . . -48.95 -31.74 7.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.169 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -70.01 -27.02 64.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.445 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 61' ' ' GLU . . . -74.69 -21.76 59.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.323 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -79.32 -38.52 35.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.771 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.64 -25.74 3.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 66.44 102.51 0.02 OUTLIER Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.04 -162.03 25.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -108.54 163.28 13.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.765 0.317 . . . . 0.0 110.457 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.6 t -144.83 133.7 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.33 112.87 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.078 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.546 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 tp -71.36 -41.81 69.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.599 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.495 ' HZ2' ' C ' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -71.93 32.12 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.192 0.52 . . . . 0.0 110.901 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.546 ' H ' ' C ' ' B' ' 72' ' ' LEU . 23.4 tt0 -173.03 -18.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 ttp85 63.72 47.19 3.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' B' ' 74' ' ' GLU . 0.6 OUTLIER -103.77 165.83 10.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.619 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 7.6 mt -144.45 102.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.433 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 3.7 mmtm -99.37 164.36 12.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.528 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -101.49 -152.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.704 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.662 0.268 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -83.37 95.16 0.8 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.703 2.269 . . . . 0.0 112.086 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.71 155.61 18.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -166.34 147.06 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.515 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -87.64 153.11 21.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.524 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -124.28 151.28 44.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -113.96 115.04 27.01 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.683 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.08 167.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.473 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -129.4 128.06 42.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.592 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 t -123.78 138.13 54.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 32.6 m -118.63 95.98 4.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.713 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.432 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -109.86 95.27 5.49 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.478 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.6 t -153.65 153.49 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 9.9 p -140.34 111.22 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.501 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 169.31 155.98 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 173.74 174.36 40.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -77.3 -168.19 1.07 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.773 0.32 . . . . 0.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -135.27 146.52 48.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.0 t -134.04 142.85 40.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.68 143.23 31.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 t -143.02 137.92 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.485 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -107.43 118.01 35.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.641 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.5 mt -115.13 121.53 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.29 120.9 41.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.724 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.64 168.76 9.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.504 ' C ' ' H ' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -135.75 -87.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' A' ' 30' ' ' GLY . 5.8 mm-40 -75.47 25.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 27' ' ' THR . 11.9 tt0 50.15 14.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -145.53 4.09 1.23 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -138.21 136.13 36.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.747 0.308 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 p -107.49 93.88 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.578 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.546 ' CG2' ' H ' ' A' ' 34' ' ' THR . 34.3 m -52.67 -59.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.546 ' H ' ' CG2' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -151.16 163.47 38.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.755 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.9 m -144.35 119.13 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.513 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.1 155.3 17.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.57 147.87 45.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.489 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.3 mm-40 -57.46 116.01 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.482 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 1.004 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 34.5 p90 -80.64 -17.96 49.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 1.004 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 3.4 m-20 -77.66 -64.36 1.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.645 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -57.8 -31.81 66.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 22.3 m -66.26 -45.61 79.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.676 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLY . 6.4 ttm180 -78.21 -50.02 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -42.91 -33.64 0.82 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.513 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.6 mt -84.88 -31.12 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.601 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -46.51 -29.02 3.73 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.71 -30.83 63.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 0.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ILE . 51.5 mm-40 -82.65 -16.64 47.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.519 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.6 p -93.6 -50.16 5.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.593 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.45 18.64 54.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.45 155.89 71.16 Favored Pre-proline 0 N--CA 1.463 0.218 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -34.99 99.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 123.027 2.485 . . . . 0.0 112.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.0 -15.16 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.195 1.93 . . . . 0.0 111.933 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -67.47 -56.36 9.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.456 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -45.99 -53.7 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.692 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.5 t -43.91 -54.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.642 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -49.36 -40.52 35.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.461 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.99 -26.41 36.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.441 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -72.32 -56.18 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.454 ' CG1' ' H ' ' A' ' 61' ' ' GLU . 8.8 p -52.49 -53.98 17.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.441 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' H ' ' CG1' ' A' ' 60' ' ' VAL . 63.5 mt-10 -43.46 -48.63 7.26 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.252 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 65' ' ' ARG . . . -50.42 -47.98 56.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.254 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -43.86 -62.81 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.381 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.12 -20.53 2.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.619 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 62' ' ' ALA . 23.6 ttm-85 -84.64 -28.07 26.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.973 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.68 14.66 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.718 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 133.74 -107.94 0.71 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 169.04 67.93 0.03 OUTLIER Glycine 0 CA--C 1.532 1.148 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.533 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -161.38 135.01 6.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.89 135.95 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.268 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 76' ' ' GLU . 1.1 m-20 -120.59 113.83 20.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.219 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.453 ' C ' ' H ' ' A' ' 74' ' ' GLU . 5.1 mp -82.79 -53.12 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -70.59 7.81 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.4 mt-10 -141.8 -10.07 0.91 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.679 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 50.13 59.51 4.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.485 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' O ' ' OD2' ' A' ' 71' ' ' ASP . 3.6 mm-40 -138.14 156.67 47.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.1 mt -131.53 131.83 62.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -138.06 -177.64 4.92 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.587 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.1 t -110.14 -82.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.891 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.591 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.607 0.242 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -51.75 167.44 0.43 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.641 2.227 . . . . 0.0 112.154 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -167.4 154.47 8.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -147.53 135.9 21.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -77.48 145.25 37.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.571 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -134.93 132.05 38.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' B' ' 8' ' ' ASP . 0.2 OUTLIER -96.6 156.84 16.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.65 145.83 34.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.47 123.32 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -113.79 115.04 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -122.7 136.11 60.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -141.48 97.3 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.402 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -153.39 155.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.448 ' O ' ' CB ' ' B' ' 16' ' ' ALA . 2.3 p -138.16 144.39 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.506 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' B' ' 15' ' ' VAL . . . 77.05 159.67 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.586 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.14 -62.66 0.03 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.36 -171.87 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.543 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -142.43 138.92 31.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.712 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 95.1 t -136.36 141.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.562 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.28 152.8 19.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.589 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 t -136.1 165.09 30.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.365 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -133.9 120.05 19.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 mt -132.19 151.36 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.99 107.47 6.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.534 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -84.43 162.27 20.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.568 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.4 p -137.14 -61.68 0.65 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' B' ' 29' ' ' GLU . 28.4 mt-10 -82.39 0.29 42.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' B' ' 28' ' ' GLU . 8.5 tt0 77.2 18.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -155.16 -38.54 0.02 OUTLIER Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.17 149.33 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.722 0.296 . . . . 0.0 110.64 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' B' ' 32' ' ' VAL . 13.2 p -107.54 111.43 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.56 ' CG1' ' H ' ' B' ' 34' ' ' THR . 7.5 p -52.78 -59.6 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.952 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.56 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 98.7 m -151.38 163.32 39.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.737 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' B' ' 34' ' ' THR . 89.3 t -136.01 135.23 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.523 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -132.88 87.61 2.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.479 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.13 147.99 51.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.635 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.18 106.49 0.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -71.2 -17.09 62.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.738 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.6 -64.2 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.483 ' OE2' ' SG ' ' B' ' 42' ' ' CYS . 1.5 pp20? -54.56 -26.94 35.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . 0.483 ' SG ' ' OE2' ' B' ' 41' ' ' GLU . 1.3 m -75.19 -43.26 53.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.712 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -66.79 -44.9 80.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.579 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' B' ' 44' ' ' GLU . 0.4 OUTLIER -67.66 -37.69 82.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' B' ' 41' ' ' GLU . 1.4 mm -63.28 -55.26 24.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.34 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' B' ' 50' ' ' GLY . . . -47.69 -18.86 0.73 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -81.36 -41.65 21.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.692 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.91 4.8 24.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.583 ' HG1' ' N ' ' B' ' 50' ' ' GLY . 29.1 p -130.83 -40.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . 0.583 ' N ' ' HG1' ' B' ' 49' ' ' THR . . . 102.28 -25.53 27.4 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.8 mm -55.47 128.86 68.8 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -42.04 157.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.749 1.633 . . . . 0.0 111.619 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.23 -54.8 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.322 2.014 . . . . 0.0 112.077 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -51.18 -54.84 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.444 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -51.01 -42.11 60.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.615 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 97.1 t -67.92 -47.84 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 110.505 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -47.36 -44.61 24.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.99 -58.74 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' B' ' 59' ' ' MET . 10.2 tmm? -44.19 -32.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.504 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.7 t -82.5 -51.49 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.797 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.74 -44.49 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.34 97.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.402 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -47.45 -63.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.67 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.32 -26.92 32.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.717 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -63.95 -28.7 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.665 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.53 -2.53 6.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 51.76 95.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.46 -172.62 29.05 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -107.61 166.61 10.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.776 0.322 . . . . 0.0 110.622 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.8 t -142.85 133.16 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.2 OUTLIER -109.55 113.02 25.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.501 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -79.65 -54.17 6.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.74 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -58.82 -2.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.686 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.6 mt-10 -136.99 -8.91 1.8 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' B' ' 71' ' ' ASP . 5.3 mtt-85 51.99 79.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.89 145.79 28.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.571 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 16.5 mt -139.25 116.23 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.481 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -137.93 163.55 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -179.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.468 0.175 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -82.65 98.21 0.89 Allowed 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.665 2.243 . . . . 0.0 112.259 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.99 175.74 0.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.385 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -167.36 144.11 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -99.65 153.56 18.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.568 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -127.45 127.03 43.41 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -102.85 95.38 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.775 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.16 124.79 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.497 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -97.42 123.39 41.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.71 107.35 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.342 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 12' ' ' VAL . 25.4 m -97.85 103.89 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.763 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.672 ' H ' ' NE2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -113.69 95.35 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.083 0.468 . . . . 0.0 110.347 179.58 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -152.99 151.86 11.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.8 m -140.44 116.98 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.433 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.409 ' O ' ' CG1' ' B' ' 12' ' ' VAL . . . 172.64 157.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.18 -169.52 40.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -83.91 -175.81 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.615 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -146.0 112.6 5.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -96.16 140.41 17.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.13 132.05 34.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.645 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 t -142.44 126.62 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -102.35 120.7 40.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.784 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 mt -124.75 125.35 69.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.21 112.28 24.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.99 146.35 30.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.517 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.0 p -105.48 -169.68 1.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.8 9.51 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -96.63 -27.86 14.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.469 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.39 38.15 2.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.19 152.86 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.519 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 p -107.36 128.08 62.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.682 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.657 ' CG1' ' H ' ' A' ' 34' ' ' THR . 2.4 p -66.97 -95.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.507 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.657 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 19.7 m -138.87 121.77 16.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.803 0.335 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 m -74.53 146.9 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -132.67 127.14 34.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.475 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.76 144.33 51.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.456 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.7 tt0 -65.11 121.57 15.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.669 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 45.2 p90 -74.12 -14.08 60.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.678 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.576 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -76.45 -64.57 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -53.41 -31.62 45.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.518 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 92.6 m -66.98 -50.75 61.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -49.91 36.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.92 -31.42 28.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.664 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -73.78 -40.67 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.82 -31.29 38.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.73 -20.28 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.63 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -87.12 -36.02 18.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.688 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.2 p -88.39 -50.19 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.06 33.98 5.83 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.69 155.65 69.36 Favored Pre-proline 0 N--CA 1.464 0.227 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -35.44 99.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.892 2.395 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.2 -23.06 12.31 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.303 2.002 . . . . 0.0 112.017 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -66.57 -52.63 43.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -58.8 -34.89 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.9 t -52.8 -56.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -51.22 -54.84 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.66 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.64 84.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.489 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 59' ' ' MET . 8.5 tmm? -64.03 -45.01 90.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.25 -64.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.665 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -43.4 -56.71 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.7 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.99 -33.96 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.417 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -68.35 -58.51 4.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.729 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.04 -20.46 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.61 ' HE ' ' CA ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -78.99 -41.9 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.916 -179.704 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.14 -6.44 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.878 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 156.11 -94.48 0.14 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 150.96 72.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.227 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.403 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 8.5 t-105 -160.34 135.97 8.24 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.7 t -148.04 146.06 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 111.177 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -123.71 112.41 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.782 179.224 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' A' ' 74' ' ' GLU . 7.6 mp -77.63 -22.52 50.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.609 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -47.82 -13.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 72' ' ' LEU . 1.8 tm-20 -173.75 14.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 57.12 97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.642 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -145.99 117.29 7.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.407 HG22 HD11 ' A' ' 77' ' ' ILE . 8.1 mm -84.02 103.95 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -113.24 165.46 12.39 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.163 0.506 . . . . 0.0 110.671 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.11 143.06 25.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.219 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.492 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -83.42 137.83 8.3 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.646 2.23 . . . . 0.0 112.174 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 82.5 p -97.24 147.57 23.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -139.5 139.57 36.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -100.56 145.64 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.606 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -117.83 128.81 55.21 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.509 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.402 ' OD2' ' N ' ' B' ' 8' ' ' ASP . 3.9 m-20 -100.17 88.69 3.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.659 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.24 126.65 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -101.69 123.3 45.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.773 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.4 t -112.08 106.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.626 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 16' ' ' ALA . 2.4 m -103.06 142.1 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -145.04 94.42 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.308 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.4 152.2 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.662 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.58 106.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.601 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 169.62 147.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.16 -166.36 31.47 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -77.45 -177.18 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.624 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -151.36 119.68 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.707 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.46 153.54 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.0 t -102.86 125.76 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.491 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.05 142.45 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.587 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -102.67 129.71 49.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.556 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.8 mt -135.35 127.37 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.3 104.22 15.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -100.66 128.91 46.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.592 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.547 ' HG1' ' H ' ' B' ' 28' ' ' GLU . 3.4 t -88.62 -169.3 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.569 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.547 ' H ' ' HG1' ' B' ' 27' ' ' THR . 3.3 tp10 -80.06 26.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' B' ' 27' ' ' THR . 1.0 OUTLIER -124.75 15.7 8.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.623 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.87 17.32 1.46 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -102.92 159.41 15.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.775 0.321 . . . . 0.0 110.502 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' B' ' 32' ' ' VAL . 7.4 p -107.51 96.74 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -59.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.719 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.23 163.5 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.709 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.23 141.93 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.379 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -131.47 98.41 4.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.6 158.54 29.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.76 122.17 28.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 0.67 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 32.6 p90 -77.64 -9.52 59.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.67 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 14.5 m-20 -77.68 -64.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -57.36 -35.77 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.602 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -46.31 90.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -71.8 -34.3 69.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.58 -54.74 31.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.521 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.416 ' C ' ' N ' ' B' ' 47' ' ' GLU . 85.8 mt -68.73 -28.54 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.42 -18.96 0.38 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' B' ' 45' ' ' ILE . 0.5 OUTLIER -77.64 -42.43 34.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.757 0.313 . . . . 0.0 110.506 -179.833 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.53 -22.51 66.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 19.5 p -84.69 -50.08 7.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.64 -9.97 68.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.2 156.33 35.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.357 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -38.85 158.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.213 1.942 . . . . 0.0 111.806 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -71.94 -49.03 0.33 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.249 1.966 . . . . 0.0 112.056 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -47.64 -54.71 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.528 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -44.53 -38.36 4.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.573 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.26 -54.19 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.649 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -45.98 -41.3 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.93 91.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.626 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -69.44 -42.1 75.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.766 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 68.2 t -73.45 -30.91 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.662 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.48 -57.83 5.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.484 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.64 57.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -55.5 -62.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.37 -33.81 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.608 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -60.79 -44.0 97.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.463 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -1.72 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.51 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 46.1 96.36 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.57 -174.89 33.95 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -104.68 160.32 15.06 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.029 0.442 . . . . 0.0 110.406 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 22.3 t -137.47 148.88 25.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.6 113.06 20.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mp -67.83 -61.04 2.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.694 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -75.45 49.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.604 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -177.88 -23.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.508 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 57.16 75.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.654 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -138.06 159.19 42.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.467 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mt -138.27 103.64 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.667 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . 0.445 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 2.8 mmtm -97.67 158.67 15.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.481 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 13.1 t -101.12 141.42 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.637 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.542 0.21 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.24 108.25 1.53 Allowed 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.573 2.182 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.84 153.25 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -138.37 120.97 16.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.673 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -86.56 136.83 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -110.3 128.97 55.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.487 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.487 ' OD1' ' NH1' ' B' ' 19' ' ' ARG . 2.0 m-20 -101.66 100.1 10.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.639 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.6 t -79.99 160.68 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ttm105 -134.94 122.98 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -112.54 111.26 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.12 148.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.749 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.03 95.55 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.37 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.23 148.4 22.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.586 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.8 144.47 17.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.515 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.02 159.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.43 -92.1 0.33 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -70.49 169.03 14.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.773 0.321 . . . . 0.0 110.646 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.34 115.31 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.525 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.0 t -95.08 158.4 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.508 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.2 t -127.62 120.99 29.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.691 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 23' ' ' LYS . 43.8 t -110.07 157.39 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.441 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 22' ' ' VAL . 46.5 mttp -132.64 110.72 10.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.451 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -99.16 141.58 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.604 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.92 101.77 12.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -95.26 134.32 38.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.501 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.55 -61.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.611 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -94.75 18.14 12.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.513 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 54.52 14.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.1 -44.43 0.18 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.35 149.17 27.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 8.1 p -107.38 97.57 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.501 ' CG1' ' H ' ' A' ' 34' ' ' THR . 7.2 p -49.15 -56.74 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.501 ' H ' ' CG1' ' A' ' 33' ' ' VAL . 3.4 m -151.28 157.55 42.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.816 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.45 148.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.356 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -132.93 114.6 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.531 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.09 149.47 21.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.48 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 12.1 tt0 -64.92 99.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.562 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.719 ' CZ ' ' OD2' ' A' ' 40' ' ' ASP . 24.7 p90 -58.6 -41.22 85.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.6 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.719 ' OD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -46.89 -56.31 6.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.648 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.437 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 4.4 tm-20 -56.93 -60.07 4.12 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.138 0.494 . . . . 0.0 110.492 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 4.5 m -41.16 -38.09 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.974 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -38.8 29.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.698 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -66.72 -60.78 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -49.81 -31.89 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.424 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.61 -19.08 18.23 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -84.02 -39.05 20.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 3.0 mm-40 -74.0 -24.72 59.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.594 ' HG1' ' N ' ' A' ' 50' ' ' GLY . 70.4 p -84.98 -49.6 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.594 ' N ' ' HG1' ' A' ' 49' ' ' THR . . . 95.45 15.72 42.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.5 156.87 69.85 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -39.85 144.91 0.31 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.304 2.003 . . . . 0.0 111.928 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.7 -5.15 15.76 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.252 1.968 . . . . 0.0 112.456 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -57.04 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.359 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.01 -23.05 30.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.711 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 t -83.04 -52.4 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.641 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' C ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -45.53 -52.06 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.373 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.424 ' N ' ' HZ3' ' A' ' 57' ' ' LYS . . . -68.15 -56.14 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.698 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 59' ' ' MET . 11.3 tmm? -41.29 -51.48 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.6 t -63.36 -51.78 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -53.35 -48.82 68.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.421 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.68 -37.4 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.485 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -59.93 -63.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.13 -21.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -73.51 -47.26 42.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -106.82 2.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.805 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 45.47 97.95 0.01 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.85 -148.54 5.22 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -133.58 161.38 34.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.91 154.05 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.49 112.31 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.078 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.5 mp -74.86 1.04 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.965 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -40.83 -26.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.489 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LEU . 20.2 pt-20 -173.39 30.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.337 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 60.64 79.46 0.24 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.646 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.43 150.24 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.93 121.35 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.17 132.58 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -89.12 -163.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.637 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.533 0.3 0 CA-C-O 120.578 0.228 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -51.1 145.18 26.44 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.437 2.091 . . . . 0.0 112.179 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.6 p -132.69 126.3 32.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.454 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.1 140.27 38.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.552 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -99.18 136.67 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.41 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.77 167.07 11.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.54 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -138.39 143.96 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.91 117.95 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -89.89 146.27 24.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.21 130.17 51.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.533 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.462 ' O ' ' CG2' ' B' ' 12' ' ' VAL . 32.3 m -134.12 98.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.701 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -105.15 94.72 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.228 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 91.6 t -152.14 152.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.583 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.69 118.75 56.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.443 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.17 173.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.72 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.57 159.57 7.98 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -98.57 -168.57 1.66 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.448 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.487 ' NH1' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -145.68 154.39 42.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 51.5 t -134.27 148.1 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.348 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -102.12 141.02 35.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.521 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 5.8 t -139.33 126.13 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.569 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -101.26 111.43 23.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.65 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -118.03 137.78 50.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.444 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.67 117.4 33.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -107.15 141.92 37.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.522 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p -96.63 -165.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -88.39 -48.18 7.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.619 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -48.75 -23.77 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.63 19.49 17.73 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -101.37 155.85 17.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 8.7 p -107.55 127.69 63.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.656 ' CG1' ' H ' ' B' ' 34' ' ' THR . 2.5 p -75.49 -97.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.656 ' H ' ' CG1' ' B' ' 33' ' ' VAL . 2.2 m -134.72 143.5 47.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.54 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -98.59 136.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.7 96.49 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.69 142.98 38.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -61.71 106.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' PHE . . . . . 1.057 ' HD1' ' NH1' ' B' ' 43' ' ' ARG . 47.0 p90 -65.0 -4.41 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 2.6 m-20 -76.83 -64.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.661 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.59 -25.53 68.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -40.65 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.636 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 1.057 ' NH1' ' HD1' ' B' ' 39' ' ' PHE . 6.2 ttm-85 -65.88 -56.43 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.94 -25.57 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.2 mm -76.86 -24.65 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.42 -24.14 61.18 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 0.426 ' OE2' ' N ' ' B' ' 47' ' ' GLU . 4.7 mp0 -79.05 -20.13 49.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.527 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -87.19 -36.07 18.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.66 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 53.6 p -84.94 -46.74 10.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.43 -21.78 39.9 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.32 156.42 62.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -38.79 157.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.43 0 C-N-CA 122.37 2.047 . . . . 0.0 111.863 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.48 -56.15 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.345 2.03 . . . . 0.0 112.11 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -43.9 -52.07 7.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.01 -42.9 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.632 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.3 t -65.89 -42.61 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -59.45 -40.83 88.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.776 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.11 -59.96 2.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.638 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -51.71 -43.84 62.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -72.61 -39.35 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.76 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.16 -54.87 42.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.884 0.373 . . . . 0.0 110.355 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.78 -51.06 54.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.482 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -43.75 -55.07 4.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.616 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.71 -30.34 21.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.538 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -72.17 -31.56 66.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.784 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 m -103.78 -9.81 9.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.712 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 54.29 81.3 0.06 OUTLIER Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.422 ' C ' ' CE3' ' B' ' 69' ' ' TRP . . . -161.31 -174.92 31.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' TRP . . . . . 0.556 ' CD2' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -105.98 170.09 8.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 110.494 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.0 t -140.02 140.66 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.53 113.09 25.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 mp -72.14 -51.44 21.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.537 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -74.32 34.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.3 mm-40 -170.59 -10.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.541 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 28.0 mtt85 48.21 80.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.88 0.371 . . . . 0.0 110.635 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -145.55 161.61 39.37 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.474 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -133.22 76.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.487 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 113.38 1.02 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.626 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' B' ' 80' ' ' GLN . 1.3 p -100.66 142.62 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.424 ' CB ' ' O ' ' B' ' 79' ' ' VAL . 2.1 tt0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo . . . . . 0 N--CA 1.494 1.525 0 CA-C-O 120.839 0.266 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.26 133.2 33.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.627 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.44 ' NH2' ' OE2' ' B' ' 26' ' ' GLU . 5.7 mmm-85 -105.2 146.87 28.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -124.56 149.6 46.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.548 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.39 131.75 51.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.406 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.5 87.03 5.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.605 HG12 ' N ' ' A' ' 10' ' ' ARG . 59.8 t -76.0 165.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.605 ' N ' HG12 ' A' ' 9' ' ' VAL . 1.6 ttm180 -137.6 133.88 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.682 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.21 109.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.323 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 12' ' ' VAL . 27.1 m -102.93 125.81 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -126.19 100.39 6.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.419 ' O ' ' OE2' ' B' ' 74' ' ' GLU . 2.6 t -146.08 155.45 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.674 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.638 ' O ' HG13 ' A' ' 15' ' ' VAL . 11.7 p -134.6 115.81 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 172.29 -177.38 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.04 135.61 2.63 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -93.6 149.78 20.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.671 0.272 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -106.54 150.65 25.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.536 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.567 HG22 ' OE2' ' A' ' 41' ' ' GLU . 59.6 t -124.34 141.47 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.07 136.57 42.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.5 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -136.49 141.59 40.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.8 126.01 49.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.5 mt -133.71 115.34 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.32 138.15 31.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.56 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -133.36 158.52 42.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.82 -73.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.675 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -76.86 15.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.603 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 54.45 30.62 13.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.479 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.42 -33.94 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -101.89 133.32 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.69 0.281 . . . . 0.0 110.597 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 32' ' ' VAL . 12.0 p -107.41 109.17 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.726 HG13 ' H ' ' A' ' 34' ' ' THR . 7.4 p -53.81 -59.91 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.726 ' H ' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -151.27 163.58 38.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.641 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 35' ' ' VAL . 22.4 m -138.66 115.73 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.409 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -113.39 139.84 48.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.758 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.78 146.05 35.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -59.69 107.94 0.67 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.568 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -70.19 -16.6 63.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.449 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.2 -63.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.567 ' OE2' HG22 ' A' ' 20' ' ' VAL . 1.3 pp20? -55.77 -23.16 28.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.608 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.0 m -77.31 -39.52 47.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -34.49 76.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.51 -28.34 56.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.5 mm -74.79 -24.71 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.592 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.28 -27.5 65.5 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.09 -30.78 68.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 110.468 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.63 -32.3 32.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.595 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -85.21 -50.03 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.5 -18.85 54.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -85.8 156.65 58.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -38.7 157.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.319 2.013 . . . . 0.0 111.884 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.89 -47.91 0.54 Allowed 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.277 1.985 . . . . 0.0 112.254 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.9 ttp85 -52.17 -48.89 64.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.601 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -47.6 -36.34 10.59 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.68 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.63 -37.05 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -61.63 -54.01 48.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -25.8 67.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 59' ' ' MET . 10.3 tmm? -78.75 -51.16 10.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.485 HG11 HG11 ' A' ' 20' ' ' VAL . 71.5 t -74.09 -13.36 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -79.84 -62.33 1.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.35 -35.59 39.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -67.42 -38.76 85.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.565 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.19 -21.74 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -78.19 -41.89 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.567 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -100.25 -0.36 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.492 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 48.74 99.07 0.01 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.47 ' O ' HG13 ' B' ' 9' ' ' VAL . . . -160.97 178.92 36.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.538 ' HE1' ' CB ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -102.83 174.23 5.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.939 0.399 . . . . 0.0 110.392 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 t -142.84 143.94 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.7 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.49 ' OD2' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -127.95 112.85 15.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.384 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mp -76.49 -16.32 59.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -53.67 -23.97 12.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.24 20.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.456 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 46.0 75.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -133.03 165.4 24.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.58 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.0 mt -144.57 130.6 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.538 ' CB ' ' HE1' ' A' ' 69' ' ' TRP . 16.8 mmtm -137.54 160.15 39.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.517 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 1.4 t -75.26 159.5 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.538 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.603 HG22 ' O ' ' B' ' 2' ' ' VAL . 2.1 p . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.112 0.482 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.65 161.58 14.45 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.498 2.132 . . . . 0.0 112.134 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -127.64 177.23 6.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.574 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -160.92 142.27 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.716 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -102.12 146.67 27.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.527 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.39 131.23 56.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.657 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -98.34 148.34 23.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.671 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 68' ' ' GLY . 59.0 t -138.97 129.1 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -97.09 123.41 40.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.539 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.17 108.07 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.488 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -104.08 157.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -157.69 95.47 1.43 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.332 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 p -130.56 123.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.661 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 23.8 m -135.48 144.35 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' B' ' 15' ' ' VAL . . . 78.79 154.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.87 -140.61 5.9 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -83.22 179.24 7.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.439 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -146.32 148.94 32.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.705 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.617 HG11 HG21 ' B' ' 60' ' ' VAL . 24.5 t -137.72 131.89 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.9 m -98.41 122.84 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.522 HG12 ' N ' ' B' ' 23' ' ' LYS . 70.2 t -102.33 159.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.522 ' N ' HG12 ' B' ' 22' ' ' VAL . 29.8 tttp -122.32 128.49 51.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.565 HG23 HG12 ' B' ' 35' ' ' VAL . 8.6 mt -136.5 119.69 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.557 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -88.78 101.81 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.44 ' OE2' ' NH2' ' A' ' 5' ' ' ARG . 3.6 tt0 -106.89 129.64 54.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.3 p -85.87 175.01 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.422 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.49 -49.14 77.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.45 -29.88 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.48 28.71 6.6 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.59 147.97 24.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.734 0.302 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.573 ' O ' HG13 ' B' ' 32' ' ' VAL . 9.6 p -107.58 118.87 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.595 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.932 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -76.94 -94.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.331 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.932 ' H ' HG13 ' B' ' 33' ' ' VAL . 6.0 m -135.35 138.5 43.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.47 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.565 HG12 HG23 ' B' ' 24' ' ' ILE . 4.3 m -98.93 131.21 46.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.71 107.34 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.551 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.26 135.35 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -41.65 118.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -73.32 -22.81 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.626 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.466 ' CG ' ' N ' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -69.52 -61.06 1.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.866 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' B' ' 40' ' ' ASP . 6.2 pt-20 -59.42 -25.69 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.739 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 35.4 m -81.87 -16.17 51.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.67 -53.39 7.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.571 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.7 -41.81 98.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.546 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mm -58.75 -26.33 31.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.402 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.11 -18.62 78.3 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -84.2 -33.01 24.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.947 0.403 . . . . 0.0 110.651 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -85.63 -20.91 28.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.656 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 66.3 p -98.14 -42.36 7.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.539 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.31 28.73 9.49 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 mt -125.53 132.43 24.31 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -40.46 157.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.678 1.585 . . . . 0.0 111.728 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -71.33 -54.39 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.355 2.037 . . . . 0.0 112.068 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -49.28 -44.12 43.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.505 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -36.8 81.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.396 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 68.5 t -73.44 -34.63 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.599 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -61.8 -48.75 79.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.5 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.58 -29.32 70.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.523 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 10.3 tmm? -73.07 -63.47 1.17 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.643 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.617 HG21 HG11 ' B' ' 20' ' ' VAL . 9.1 p -59.57 -28.63 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.63 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' B' ' 62' ' ' ALA . 4.3 tm-20 -63.51 -61.59 2.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.505 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.47 ' N ' ' CD ' ' B' ' 61' ' ' GLU . . . -48.57 -27.36 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -67.12 -62.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.79 -24.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' B' ' 63' ' ' ALA . 7.5 tpp180 -73.69 -44.1 57.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.79 1.75 10.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 43.54 92.45 0.01 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.33 -175.11 33.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -103.85 159.23 15.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.678 0.275 . . . . 0.0 110.614 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.35 141.22 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.672 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -113.5 121.86 45.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.529 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 mp -88.03 -58.37 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.743 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -62.07 1.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' B' ' 72' ' ' LEU . 15.8 mm-40 -132.93 -18.66 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.559 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 55.83 61.55 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.495 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -139.85 157.5 45.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.736 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 mt -139.94 128.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -146.7 166.61 26.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.547 HG22 ' N ' ' B' ' 80' ' ' GLN . 3.4 p -137.45 160.74 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.547 ' N ' HG22 ' B' ' 79' ' ' VAL . 2.7 pt20 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.484 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 N--CA 1.491 1.373 0 CA-C-O 120.771 0.238 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -101.51 150.31 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.485 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -158.02 134.06 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.571 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.461 ' HE1' ' OD1' ' A' ' 8' ' ' ASP . 54.6 p90 -86.3 146.1 26.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.523 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -110.34 130.17 55.6 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.662 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' OD1' ' HE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -100.56 103.41 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.611 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.6 t -76.91 129.1 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.691 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -90.54 124.15 34.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.14 126.47 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 m -134.3 138.36 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.23 97.6 4.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 p -154.38 151.01 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.679 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.656 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -140.29 143.51 29.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.568 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . 77.74 158.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.62 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.87 -74.46 0.06 OUTLIER Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -138.11 145.0 41.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -138.87 130.23 27.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.67 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 21' ' ' SER . 6.1 p -98.23 158.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.517 ' N ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -94.45 130.53 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.7 t -142.97 133.39 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.868 ' NZ ' ' HB2' ' A' ' 25' ' ' ALA . 6.3 tmtm? -98.12 105.98 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.459 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 mt -111.9 120.07 61.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.66 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.868 ' HB2' ' NZ ' ' A' ' 23' ' ' LYS . . . -102.49 123.74 46.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.62 166.9 12.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.406 ' OG1' ' CG2' ' A' ' 33' ' ' VAL . 5.4 m -148.32 -50.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -95.62 17.01 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.435 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 53.9 16.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.01 -34.1 0.02 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -101.3 150.32 23.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.784 0.326 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 32' ' ' VAL . 14.1 p -107.63 108.15 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.384 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.406 ' CG2' ' OG1' ' A' ' 27' ' ' THR . 74.2 t -53.7 -59.6 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 p -148.84 163.75 36.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.595 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.4 m -133.15 146.12 32.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.629 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 113.77 13.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.945 0.402 . . . . 0.0 110.463 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.2 147.67 26.36 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.594 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.09 124.47 32.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -73.49 -28.28 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.69 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.84 -64.49 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -55.7 28.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.6 m -48.03 -41.57 25.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -65.47 -19.32 65.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.506 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -55.82 4.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.7 mp -46.97 -36.62 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.512 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.17 -26.62 72.53 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -76.44 -32.3 58.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.549 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -83.94 -40.61 18.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.681 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.9 p -84.97 -46.05 11.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.541 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.96 29.16 6.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mt -110.78 131.8 21.93 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.571 ' O ' HG23 ' A' ' 56' ' ' VAL . 71.1 Cg_exo -40.75 157.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 C-N-CA 121.862 1.708 . . . . 0.0 111.731 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -72.04 -57.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.314 2.009 . . . . 0.0 111.98 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.02 -37.85 7.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.601 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -68.89 -39.94 79.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.615 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 52' ' ' PRO . 61.3 t -77.78 -26.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.634 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -66.5 -43.08 86.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.97 -24.66 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.519 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.621 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -76.64 -43.55 37.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.486 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.4 t -75.94 -33.27 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -72.66 -43.19 63.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.453 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.13 77.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.444 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.42 -49.81 76.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.25 -23.61 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -74.2 -47.51 35.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -97.03 1.51 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 51.37 97.88 0.01 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.3 -155.19 8.22 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.692 ' CZ3' ' HB2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -136.79 169.23 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.567 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.621 HG21 ' SD ' ' A' ' 59' ' ' MET . 46.3 t -133.15 157.28 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -141.96 113.08 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' GLU . 10.0 mp -75.51 -22.1 57.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -43.18 -20.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -168.95 28.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.539 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 42.16 87.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.658 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -140.03 161.83 36.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.1 mt -137.04 125.75 35.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.692 ' HB2' ' CZ3' ' A' ' 69' ' ' TRP . 55.5 mttt -141.65 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.646 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 79' ' ' VAL . 2.5 p -141.07 -9.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.534 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.561 ' O ' HG12 ' B' ' 2' ' ' VAL . 76.9 t . . . . . 0 N--CA 1.467 0.385 0 CA-C-O 120.695 0.283 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -52.0 157.27 6.22 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.562 2.175 . . . . 0.0 112.041 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 3.1 p -167.12 131.86 2.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.47 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -170.16 149.09 3.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -77.04 142.07 40.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.696 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -110.14 157.58 19.24 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.17 109.36 11.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -82.15 119.61 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.514 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.605 HH22 HG11 ' B' ' 12' ' ' VAL . 0.8 OUTLIER -72.43 126.1 29.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.682 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.19 88.59 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.573 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.605 HG11 HH22 ' B' ' 10' ' ' ARG . 4.4 m -101.24 153.04 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.54 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.71 95.04 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.629 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 t -96.49 154.28 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.511 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.36 124.55 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.05 176.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.657 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.8 -136.75 3.29 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.26 126.18 34.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.314 . . . . 0.0 110.598 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.95 127.72 48.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.681 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.69 HG11 HG11 ' B' ' 60' ' ' VAL . 43.0 t -102.68 132.87 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.53 125.38 31.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.651 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 69.9 t -140.2 117.02 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.468 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.31 130.91 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.54 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.558 HG23 HG12 ' B' ' 35' ' ' VAL . 2.6 mt -137.03 132.26 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.726 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.06 99.09 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -100.32 147.78 25.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -99.83 -155.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.445 ' N ' ' OG1' ' B' ' 27' ' ' THR . 51.5 mt-10 -94.92 23.14 5.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -138.72 19.55 2.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.455 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.02 36.93 76.36 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -103.29 133.85 47.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.512 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.677 ' O ' HG13 ' B' ' 32' ' ' VAL . 7.2 p -107.64 89.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.481 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.66 HG13 ' N ' ' B' ' 34' ' ' THR . 7.3 p -49.02 -55.47 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.66 ' N ' HG13 ' B' ' 33' ' ' VAL . 1.4 m -151.15 163.6 38.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.595 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.558 HG12 HG23 ' B' ' 24' ' ' ILE . 18.1 m -134.08 149.97 30.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.499 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -132.64 85.02 2.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.43 114.43 9.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.431 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.439 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 0.4 OUTLIER -41.96 115.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.495 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -77.36 -10.13 59.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.633 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.73 -64.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.526 ' N ' ' OE2' ' B' ' 41' ' ' GLU . 1.6 mm-40 -60.4 -42.46 95.99 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.602 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 78.6 m -56.3 -38.75 71.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -56.17 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.409 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -47.14 -60.12 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.28 -20.25 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.51 -30.68 34.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.91 -36.99 84.91 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.847 0.356 . . . . 0.0 110.669 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.44 -25.27 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.689 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.744 HG22 HD21 ' B' ' 72' ' ' LEU . 71.9 p -85.06 -49.87 7.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.42 -23.52 33.94 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -85.72 156.74 58.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -39.35 157.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 122.355 2.036 . . . . 0.0 111.833 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.94 -56.79 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.379 2.052 . . . . 0.0 112.005 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -43.86 -50.35 7.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.623 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -47.02 -37.1 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.646 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 72.6 t -78.38 -38.05 22.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.745 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -55.28 -47.64 75.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.603 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.37 76.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' B' ' 59' ' ' MET . 14.3 tmm? -70.26 -43.19 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.597 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.69 HG11 HG11 ' B' ' 20' ' ' VAL . 84.4 t -76.88 -31.5 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.677 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -72.7 -51.69 18.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.557 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.66 -37.07 65.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -57.88 -63.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.12 -25.26 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -47.45 74.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -2.39 9.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.662 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 50.69 101.56 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.34 -153.11 6.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.539 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -127.54 162.26 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 110.461 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.455 HG12 ' N ' ' B' ' 71' ' ' ASP . 54.6 t -138.34 156.7 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.477 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.5 OUTLIER -135.68 113.17 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.415 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.744 HD21 HG22 ' B' ' 49' ' ' THR . 2.6 mp -72.2 -53.72 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -72.4 43.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' B' ' 72' ' ' LEU . 1.5 tm-20 -175.57 -23.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 58.51 70.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.521 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -138.82 147.44 42.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.461 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -140.55 119.19 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -138.11 167.01 22.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.43 ' O ' ' NE1' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -86.96 -176.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.539 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 N--CA 1.492 1.397 0 CA-C-O 120.843 0.268 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 p -78.66 140.52 38.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.563 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -119.49 135.18 54.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.485 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -103.2 153.35 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -127.67 125.33 39.88 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -103.11 110.04 21.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.0 t -103.03 110.98 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -78.51 123.41 27.03 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.616 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -113.33 125.32 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.826 HG11 ' O ' ' B' ' 15' ' ' VAL . 15.3 m -133.26 168.34 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -155.71 95.28 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.438 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 15' ' ' VAL . 8.6 p -154.31 155.87 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.464 ' N ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -139.29 107.46 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.431 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.5 168.08 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.13 169.44 39.66 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -171.24 3.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.865 0.365 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -150.51 150.92 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.633 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.78 143.42 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.6 m -95.92 140.42 30.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 36' ' ' LYS . 65.7 t -137.6 139.13 43.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -105.95 129.27 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.463 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.551 HD11 ' HB1' ' A' ' 64' ' ' ALA . 15.0 mt -139.01 121.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.551 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.44 139.38 35.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.669 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -133.38 163.74 28.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.48 ' C ' ' H ' ' A' ' 29' ' ' GLU . 71.0 p -133.9 -76.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' OG1' ' A' ' 27' ' ' THR . 30.3 mt-10 -69.4 9.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.616 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.1 mt-10 60.23 13.29 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.18 -31.91 0.19 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.98 139.52 38.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.727 0.299 . . . . 0.0 110.658 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.694 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.2 p -107.56 105.59 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.697 HG13 ' H ' ' A' ' 34' ' ' THR . 7.4 p -52.17 -58.46 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.998 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.697 ' H ' HG13 ' A' ' 33' ' ' VAL . 88.7 m -151.21 163.46 38.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.779 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.573 ' N ' HG22 ' A' ' 34' ' ' THR . 16.4 m -132.42 143.39 40.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.443 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.489 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -128.31 167.7 16.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.7 179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.95 116.04 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.475 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.71 105.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 1.027 ' CD1' ' NH1' ' A' ' 43' ' ' ARG . 45.5 p90 -73.88 -12.69 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.56 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.57 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.556 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -58.44 -46.23 86.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.3 m -49.17 -37.92 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.675 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 1.027 ' NH1' ' CD1' ' A' ' 39' ' ' PHE . 6.4 mtm180 -73.2 -26.43 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.573 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 4.0 mm-40 -82.3 -30.8 30.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.7 mt -75.34 -21.24 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.22 -20.62 69.42 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.27 -19.84 45.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.835 0.35 . . . . 0.0 110.501 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 1.1 mp0 -79.3 -41.01 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -43.16 9.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.31 33.42 6.54 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 pt -125.49 147.71 58.93 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -38.04 157.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.187 1.925 . . . . 0.0 112.118 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' VAL . 56.3 Cg_endo -72.59 -49.87 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.285 1.99 . . . . 0.0 112.063 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -43.73 -45.7 7.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.4 -27.39 67.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' PRO . 40.5 t -82.95 -37.4 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -58.85 -49.69 76.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.365 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.41 81.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' A' ' 59' ' ' MET . 2.9 tmm? -62.06 -46.32 89.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.8 t -69.2 -34.0 61.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.57 -58.88 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.23 -31.96 1.72 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.493 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -63.13 -63.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.551 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -43.53 -23.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.732 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.442 HH11 HG13 ' A' ' 66' ' ' VAL . 1.3 tmm_? -76.33 -45.71 31.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.479 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.442 HG13 HH11 ' A' ' 65' ' ' ARG . 0.1 OUTLIER -99.85 0.76 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.683 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 40.88 94.49 0.01 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.87 -167.73 24.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 1.1 m0 -104.8 168.68 8.9 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.754 0.312 . . . . 0.0 110.543 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.0 t -147.1 136.64 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -102.21 115.88 31.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 74' ' ' GLU . 3.0 mp -63.74 -56.17 17.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -72.29 43.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.482 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -175.99 -17.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.36 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 47.22 64.96 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.504 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -136.02 153.43 51.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.486 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.2 mp -126.41 137.95 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.489 ' NZ ' ' CZ3' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -137.97 149.98 46.61 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.614 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.585 HG12 ' H ' ' A' ' 80' ' ' GLN . 2.7 t -60.27 -134.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.66 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.585 ' H ' HG12 ' A' ' 79' ' ' VAL . 15.1 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.52 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.625 HG22 ' O ' ' B' ' 2' ' ' VAL . 2.1 p . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -83.67 103.19 1.05 Allowed 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.681 2.254 . . . . 0.0 112.06 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -93.15 148.7 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.743 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -145.83 142.69 29.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -86.29 146.66 26.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -110.35 165.88 11.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.375 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -140.04 109.67 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.778 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 80.9 t -100.04 131.76 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.512 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -96.9 123.18 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.656 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.71 100.68 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 20.2 m -86.55 158.17 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.57 137.14 28.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.437 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -80.16 150.35 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.826 ' O ' HG11 ' A' ' 12' ' ' VAL . 7.7 p -140.12 137.53 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.43 169.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLY . . . . . 0.461 ' HA3' HG12 ' A' ' 12' ' ' VAL . . . -163.99 -101.61 0.16 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.67 169.62 10.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.923 0.392 . . . . 0.0 110.51 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -141.56 123.9 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.348 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.677 HG11 HG11 ' B' ' 60' ' ' VAL . 60.5 t -102.0 139.58 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.467 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 8.2 t -101.39 132.44 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 85.4 t -133.61 147.04 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.52 129.18 56.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.1 mt -135.08 132.47 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.35 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.87 128.68 46.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.498 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -133.26 149.5 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.4 p -96.09 -167.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.687 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -99.47 21.64 11.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -132.23 36.16 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.18 60.09 6.45 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -138.51 124.03 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.445 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.632 ' O ' HG13 ' B' ' 32' ' ' VAL . 13.1 p -107.59 115.28 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.6 HG12 ' N ' ' B' ' 34' ' ' THR . 87.8 t -60.3 -98.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.445 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.6 ' N ' HG12 ' B' ' 33' ' ' VAL . 8.1 m -139.1 139.82 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.733 0.302 . . . . 0.0 110.624 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.65 141.58 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.458 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 101.6 5.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.535 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.16 159.93 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -83.61 120.68 26.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.463 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.75 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 35.0 p90 -77.06 -15.61 59.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.75 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 23.8 m-20 -72.09 -54.83 8.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.629 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.49 ' OE2' HG22 ' B' ' 20' ' ' VAL . 1.4 pp20? -65.77 -31.24 72.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' CYS . . . . . 0.444 ' SG ' ' OE1' ' B' ' 41' ' ' GLU . 0.5 OUTLIER -74.91 -18.63 60.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.579 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -80.84 -34.14 34.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.425 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.07 -33.97 26.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.557 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.486 HG21 HG11 ' B' ' 56' ' ' VAL . 1.9 tp -64.79 -26.85 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.551 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.61 -38.77 94.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.63 -28.06 69.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' B' ' 48' ' ' GLU . 2.1 mm-40 -81.39 -29.76 33.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.644 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 59.3 p -85.07 -49.65 8.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.54 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.75 14.69 33.75 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.54 156.6 70.36 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -38.96 157.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.498 2.132 . . . . 0.0 112.007 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -71.71 -57.1 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.396 2.064 . . . . 0.0 112.208 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -44.01 -53.36 6.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.709 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -43.84 -38.37 3.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.486 HG11 HG21 ' B' ' 45' ' ' ILE . 56.0 t -76.79 -43.74 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -52.65 -48.01 66.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.79 81.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.528 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.3 tmm? -70.93 -44.68 65.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.677 HG11 HG11 ' B' ' 20' ' ' VAL . 73.1 t -74.3 -31.47 28.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.793 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -66.12 -54.94 19.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.368 . . . . 0.0 110.358 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.19 -34.68 61.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -59.44 -62.3 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.661 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.56 -30.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.636 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -42.15 92.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.57 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -102.78 -4.53 9.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.737 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 49.24 93.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.69 -173.41 34.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.88 176.76 5.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.648 0.261 . . . . 0.0 110.693 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.416 HG12 ' N ' ' B' ' 71' ' ' ASP . 21.8 t -145.15 156.06 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.844 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.3 OUTLIER -133.21 113.05 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.181 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.89 -31.69 70.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -47.15 -24.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.489 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.66 -4.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.478 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' B' ' 71' ' ' ASP . 18.8 ttt-85 54.76 77.12 0.22 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.64 145.91 30.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.534 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.99 136.85 45.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.39 135.91 37.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.462 HG22 ' N ' ' B' ' 80' ' ' GLN . 3.4 p -49.43 156.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.423 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.462 ' N ' HG22 ' B' ' 79' ' ' VAL . 6.4 tp60 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.516 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.486 1.064 0 CA-C-O 120.875 0.281 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 p -138.66 141.7 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.56 147.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.608 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -84.94 139.76 31.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.609 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -110.5 131.69 54.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.373 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -100.2 112.34 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.718 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.503 HG11 HG23 ' B' ' 60' ' ' VAL . 59.3 t -83.64 139.17 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.489 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.41 123.36 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.597 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -115.48 93.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.133 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 12' ' ' VAL . 28.3 m -78.55 101.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.845 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.14 97.67 7.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.398 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -151.46 151.48 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.771 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.618 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.3 p -140.35 113.23 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 166.92 143.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.707 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.19 167.39 37.48 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -61.92 -178.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.494 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -141.42 127.74 19.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.638 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 21' ' ' SER . 94.7 t -95.76 153.35 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.678 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 20' ' ' VAL . 1.1 m -110.45 108.98 19.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.622 HG12 ' N ' ' A' ' 23' ' ' LYS . 59.2 t -115.65 165.26 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.622 ' N ' HG12 ' A' ' 22' ' ' VAL . 7.1 ttpt -130.23 97.5 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 24' ' ' ILE . 7.1 mt -99.81 132.26 45.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.641 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.669 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -102.69 111.17 23.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -104.5 155.05 19.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -80.22 0.52 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.23 -64.87 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.676 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -174.53 -36.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.13 43.43 1.52 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -137.73 120.8 16.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.68 126.83 65.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.986 HG13 ' H ' ' A' ' 34' ' ' THR . 2.2 p -88.66 -88.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.986 ' H ' HG13 ' A' ' 33' ' ' VAL . 28.8 p -126.53 130.55 50.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.545 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 m -100.91 142.49 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.463 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -132.73 116.01 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.598 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.1 130.67 48.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.8 124.9 17.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.623 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 33.0 p90 -78.07 -11.96 59.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.6 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -77.66 -56.22 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.66 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -60.75 -37.37 81.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.2 m -65.51 -37.94 88.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.676 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -77.64 -42.45 34.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.472 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.03 -24.11 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.631 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -80.4 -34.63 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.451 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.9 -18.81 57.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -78.04 -19.92 53.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.301 . . . . 0.0 110.508 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -89.09 -33.5 17.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.3 p -88.57 -50.17 6.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.94 33.91 6.43 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.691 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.53 155.34 72.18 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -35.64 100.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.612 2.208 . . . . 0.0 112.427 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.8 -24.44 10.08 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.183 1.922 . . . . 0.0 112.012 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -61.72 -55.69 27.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.598 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.93 -46.15 78.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.1 t -43.99 -43.46 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -63.34 -51.06 67.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.77 65.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.524 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 59' ' ' MET . 4.9 tmm? -84.64 -46.88 11.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.57 -25.88 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.548 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.51 -57.27 4.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.379 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.97 -38.01 34.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.482 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -61.73 -59.91 4.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.598 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.61 -23.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 63' ' ' ALA . 1.3 ttm-85 -73.88 -46.31 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.491 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -100.0 -0.72 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.469 -179.771 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.91 94.94 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.23 -147.14 4.51 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.431 ' CD1' ' OE2' ' B' ' 74' ' ' GLU . 0.0 OUTLIER -131.79 157.97 42.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.727 0.299 . . . . 0.0 110.476 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.556 HG22 HG23 ' A' ' 77' ' ' ILE . 86.7 t -136.57 139.7 44.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.691 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.78 113.1 23.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.408 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 74' ' ' GLU . 5.3 mp -73.26 -48.47 34.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -75.03 27.42 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.6 mt-10 -156.37 -17.05 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 57.44 64.09 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.476 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -139.0 149.32 44.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.556 HG23 HG22 ' A' ' 70' ' ' VAL . 13.2 mt -136.72 85.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.451 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -77.12 127.42 32.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.638 HG23 ' N ' ' A' ' 80' ' ' GLN . 6.8 m -59.37 -144.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.713 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.638 ' N ' HG23 ' A' ' 79' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.614 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.579 0.228 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.81 104.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.462 2.108 . . . . 0.0 112.223 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -172.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.625 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -172.63 147.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -101.67 142.26 33.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.534 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -117.55 128.08 54.61 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.64 112.93 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.4 126.99 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -98.91 123.43 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.475 ' O ' ' NE2' ' B' ' 13' ' ' GLN . 2.5 t -120.84 105.34 16.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.345 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 16' ' ' ALA . 3.6 m -96.49 130.18 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.604 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.494 ' N ' ' OE1' ' B' ' 13' ' ' GLN . 0.8 OUTLIER -129.72 96.5 4.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.606 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 p -154.53 155.57 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.63 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 8.8 p -140.31 111.43 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 164.87 153.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.76 -174.57 42.43 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -177.45 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -138.44 115.4 10.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -103.09 116.06 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.633 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.7 t -70.94 126.42 29.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -132.32 130.63 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -102.75 125.13 49.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.559 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mt -135.85 120.29 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.643 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.86 101.49 13.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -101.97 148.8 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.478 ' C ' ' H ' ' B' ' 29' ' ' GLU . 61.2 p -101.56 -83.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -75.25 26.3 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' B' ' 27' ' ' THR . 18.3 tp10 49.24 39.27 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.61 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.26 -38.55 0.02 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -101.79 136.52 41.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.816 0.341 . . . . 0.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.587 ' O ' HG13 ' B' ' 32' ' ' VAL . 4.6 p -107.39 89.13 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.619 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.644 HG23 ' N ' ' B' ' 34' ' ' THR . 30.4 m -41.94 -49.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.759 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.644 ' N ' HG23 ' B' ' 33' ' ' VAL . 88.4 m -151.08 162.51 40.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.684 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.572 ' N ' HG22 ' B' ' 34' ' ' THR . 0.8 OUTLIER -151.26 129.88 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.343 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -132.79 102.2 5.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.735 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' B' ' 39' ' ' PHE . . . -77.78 128.97 34.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -41.57 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.417 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.52 ' CG ' ' N ' ' B' ' 40' ' ' ASP . 30.0 p90 -58.75 -49.0 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.681 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.52 ' N ' ' CG ' ' B' ' 39' ' ' PHE . 0.0 OUTLIER -43.53 -64.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.543 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.29 -58.09 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -42.79 6.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -73.88 -56.6 4.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.92 -26.62 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -83.69 -37.99 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.63 -31.91 5.4 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.06 -38.08 85.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 110.489 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -75.47 -19.15 59.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 46.4 p -91.55 -50.21 5.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.59 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.99 19.58 46.44 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.41 156.32 70.43 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -35.49 100.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.994 2.462 . . . . 0.0 112.327 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.85 -21.62 2.69 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.014 1.809 . . . . 0.0 112.054 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -67.68 -50.75 56.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.16 -29.89 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.445 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.05 -36.3 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.333 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -67.52 -53.56 27.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.461 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.38 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.537 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.3 tmm? -76.46 -57.23 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.537 ' N ' ' SD ' ' B' ' 59' ' ' MET . 2.6 p -70.16 -6.21 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.672 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -83.32 -60.35 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.287 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.53 -37.85 58.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -64.47 -56.74 12.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.591 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.57 -26.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -45.26 43.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.592 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.409 HG23 ' H ' ' B' ' 66' ' ' VAL . 0.0 OUTLIER -97.5 1.72 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 46.68 96.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.13 -161.31 10.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -127.57 153.04 46.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.557 0.218 . . . . 0.0 110.556 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -128.42 151.67 35.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' B' ' 71' ' ' ASP . 0.0 OUTLIER -120.15 113.22 20.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.149 179.674 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.5 mp -77.6 -57.58 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.983 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -66.95 7.63 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.821 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.4 mm-40 -142.25 -4.27 1.03 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 110.597 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' B' ' 71' ' ' ASP . 10.8 mmt180 42.35 82.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.669 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -150.93 150.78 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 22.7 mt -137.77 100.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -106.92 140.2 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.597 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.408 ' H ' HG23 ' B' ' 79' ' ' VAL . 0.2 OUTLIER -85.54 175.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.64 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 -179.921 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 N--CA 1.485 1.013 0 CA-C-O 120.807 0.253 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.6 m -63.27 -179.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -139.65 135.56 33.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -103.28 152.71 21.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -135.02 151.06 50.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.647 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.05 125.68 53.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.542 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -103.12 110.84 30.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.608 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' B' ' 70' ' ' VAL . 15.0 ttm180 -64.23 127.49 31.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.83 108.69 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.641 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.64 131.58 53.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.572 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.72 95.41 4.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.258 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 p -154.02 133.51 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.585 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 15' ' ' VAL . 14.9 p -135.99 114.33 15.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.491 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 165.21 -177.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.452 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.98 174.02 16.82 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.55 -177.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.502 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -138.64 132.54 31.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.614 HG13 ' CD ' ' A' ' 41' ' ' GLU . 84.0 t -102.26 153.77 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.556 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -99.83 117.25 33.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.629 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.62 156.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.647 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -137.52 128.29 27.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.572 ' CG2' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -136.25 148.26 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.548 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.597 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -121.01 119.07 31.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -103.5 145.24 30.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 29' ' ' GLU . 41.3 p -104.35 -177.89 3.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.461 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -79.15 26.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.621 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.6 tt0 -132.21 16.68 4.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.7 23.18 43.11 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -104.74 151.92 23.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.609 ' O ' HG13 ' A' ' 32' ' ' VAL . 13.7 p -107.56 118.37 55.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.899 HG13 ' H ' ' A' ' 34' ' ' THR . 2.6 p -68.67 -99.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.428 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.899 ' H ' HG13 ' A' ' 33' ' ' VAL . 29.3 p -119.81 135.04 55.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.769 0.319 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.572 HG12 ' CG2' ' A' ' 24' ' ' ILE . 3.6 m -101.88 124.01 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.634 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -104.22 138.91 40.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.72 148.14 41.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.529 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.63 113.96 13.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.441 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -67.68 -16.47 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -64.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.752 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.614 ' CD ' HG13 ' A' ' 20' ' ' VAL . 1.7 pp20? -56.82 -25.95 57.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 93.1 m -72.87 -44.78 60.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -73.45 -52.59 13.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -44.97 -59.72 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.56 -30.86 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.66 -19.92 7.12 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -85.53 -25.83 26.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.652 0.263 . . . . 0.0 110.499 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.24 -29.63 66.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.3 p -89.91 -50.23 6.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.13 29.23 8.1 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.223 -0.513 . . . . 0.0 111.882 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.61 155.81 71.69 Favored Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -35.16 99.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.721 2.281 . . . . 0.0 112.364 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -50.69 -12.63 0.6 Allowed 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.206 1.937 . . . . 0.0 112.05 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -71.44 -44.94 63.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.717 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -65.69 -47.06 76.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.023 0.44 . . . . 0.0 110.679 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.5 t -46.85 -50.5 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.616 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -53.12 -54.95 28.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -20.61 66.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -72.68 -43.36 63.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.612 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.8 t -63.0 -55.63 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -43.5 -55.52 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.35 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.59 -43.81 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.453 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -63.1 -58.05 8.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -46.17 -24.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.626 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 ttm-85 -72.06 -46.91 55.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.503 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.06 6.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.558 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.16 83.23 0.02 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.41 -164.25 11.31 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.474 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -116.96 167.88 10.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.334 . . . . 0.0 110.62 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -131.29 145.62 35.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.637 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.433 ' OD1' ' CZ2' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -134.76 112.97 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 74' ' ' GLU . 8.2 mp -72.32 -24.6 61.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.15 -9.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.527 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.3 mm-40 -175.08 18.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.625 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 43.65 84.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -139.15 131.38 28.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.359 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.78 132.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.586 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -163.34 153.93 16.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.7 p -54.15 147.2 2.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.608 179.855 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.528 0.116 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.01 110.13 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.516 2.144 . . . . 0.0 112.067 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.66 137.79 48.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.487 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -163.64 147.47 10.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.586 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -79.09 147.27 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.631 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -110.25 167.78 9.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.523 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.71 88.61 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.678 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.8 t -74.25 130.66 35.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.501 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.17 123.17 38.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.69 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.0 t -107.2 130.31 59.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.629 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -134.31 160.94 41.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.82 94.96 1.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.608 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.8 p -154.35 137.43 7.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 11.4 p -129.92 115.93 35.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.667 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 164.86 177.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.69 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.7 160.59 8.58 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.92 178.59 2.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.825 0.345 . . . . 0.0 110.452 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -150.86 131.66 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.556 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.93 151.11 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.433 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.8 t -101.31 113.13 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.655 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.477 HG12 ' N ' ' B' ' 23' ' ' LYS . 89.5 t -103.74 156.52 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.428 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.477 ' N ' HG12 ' B' ' 22' ' ' VAL . 9.8 tttm -124.41 122.14 36.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.493 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.0 mt -130.23 121.46 51.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.616 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.525 ' HB3' ' CG1' ' B' ' 33' ' ' VAL . . . -89.75 130.52 36.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.5 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -133.38 141.07 47.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.9 p -98.07 -177.44 3.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.758 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.42 20.87 1.01 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.366 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -119.13 2.19 11.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.469 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.31 18.79 79.45 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -99.34 135.02 41.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.406 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -107.62 125.91 63.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.952 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -73.02 -97.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.349 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.952 ' H ' HG13 ' B' ' 33' ' ' VAL . 2.0 t -138.33 147.82 43.94 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.656 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 p -94.28 142.16 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.608 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -132.77 94.18 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.331 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.06 125.33 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -47.68 98.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -56.1 -18.34 9.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -64.63 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.487 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -57.32 -38.18 73.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 22.1 m -57.03 -43.76 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.634 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -41.08 92.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -70.44 -26.37 63.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -77.38 -28.71 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.73 -22.43 33.14 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -77.99 -25.35 47.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -85.41 -29.67 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.507 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.423 HG22 ' CD2' ' B' ' 72' ' ' LEU . 59.8 p -90.0 -48.48 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.468 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.4 -26.38 24.4 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.4 156.22 85.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.31 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -38.82 157.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.402 2.068 . . . . 0.0 111.805 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -71.49 -58.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.391 0 C-N-CA 122.333 2.022 . . . . 0.0 112.123 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 -47.71 11.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -48.12 -28.45 2.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.573 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 t -81.45 -42.79 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -46.15 -54.84 7.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.56 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.23 -58.49 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.473 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -44.0 -40.33 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.581 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 34.1 t -73.41 -45.6 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.2 -44.15 97.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.458 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.64 -47.67 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.355 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.471 ' HB1' ' HA2' ' B' ' 68' ' ' GLY . . . -55.35 -63.52 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.58 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.38 -20.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.71 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' B' ' 63' ' ' ALA . 17.0 ttp180 -77.96 -43.36 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.038 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.88 -9.35 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.5 -93.38 0.12 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.471 ' HA2' ' HB1' ' B' ' 63' ' ' ALA . . . 159.11 72.49 0.02 OUTLIER Glycine 0 CA--C 1.528 0.898 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.187 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.402 ' HB3' ' H ' ' B' ' 78' ' ' LYS . 1.3 t-105 -141.93 136.83 30.81 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.16 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' ARG . 12.1 t -137.34 132.92 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -134.86 112.83 10.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.1 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.423 ' CD2' HG22 ' B' ' 49' ' ' THR . 5.7 mp -89.01 -18.17 27.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.685 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 pttm -49.16 -18.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.327 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -165.49 14.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.506 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 57.44 87.18 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -143.98 167.96 21.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.418 HD13 HG21 ' B' ' 77' ' ' ILE . 0.5 OUTLIER -136.0 134.2 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.493 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 78' ' ' LYS . . . . . 0.402 ' H ' ' HB3' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -139.81 174.85 10.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.878 0.371 . . . . 0.0 111.013 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.61 144.06 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.448 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.51 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo . . . . . 0 N--CA 1.492 1.405 0 CA-C-O 120.848 0.27 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.97 114.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.516 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -168.41 155.94 7.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.47 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -76.82 138.67 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.483 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -110.22 128.84 55.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.468 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.53 116.34 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.687 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t -84.41 140.92 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.478 ' NH2' ' HB2' ' B' ' 16' ' ' ALA . 3.1 mmm180 -87.91 123.25 32.47 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.729 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.98 127.17 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.187 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.691 HG22 ' HE1' ' B' ' 69' ' ' TRP . 1.4 m -129.79 168.41 22.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.446 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -124.13 130.64 52.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.18 118.86 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.584 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.79 143.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.482 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.07 162.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.79 -104.75 0.2 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.19 160.21 24.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.714 0.292 . . . . 0.0 110.599 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -140.15 123.8 17.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.668 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.589 HG13 ' CD ' ' A' ' 41' ' ' GLU . 69.3 t -100.87 147.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.491 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.09 133.12 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t -137.68 130.51 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -104.02 126.41 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.47 138.74 51.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.404 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.59 100.98 12.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.605 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -103.35 134.86 46.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.473 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -90.32 179.87 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.52 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.95 10.5 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -111.46 -14.22 13.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.72 22.69 32.89 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -103.79 155.69 18.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.754 0.312 . . . . 0.0 110.471 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.702 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.2 p -119.7 94.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.683 HG23 ' N ' ' A' ' 34' ' ' THR . 35.5 m -50.79 -57.1 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.792 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.683 ' N ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -151.12 163.49 38.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.809 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -128.44 138.15 55.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -132.8 126.4 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.16 125.81 51.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -44.19 111.13 0.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.538 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.86 ' HD1' ' HD2' ' A' ' 43' ' ' ARG . 39.9 p90 -73.32 -18.49 61.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.513 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -64.26 0.92 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.752 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.589 ' CD ' HG13 ' A' ' 20' ' ' VAL . 3.1 pp20? -58.47 -31.73 68.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.653 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.445 ' SG ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -77.37 -18.98 56.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.604 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.86 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 3.2 mtt180 -81.91 -33.05 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.16 -26.14 33.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 49' ' ' THR . 1.0 OUTLIER -82.98 -21.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.537 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.42 51.08 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -52.09 15.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.805 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.88 -9.14 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 45' ' ' ILE . 26.6 p -101.42 -37.75 8.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -26.64 23.52 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -97.11 154.11 38.26 Favored Pre-proline 0 C--N 1.331 -0.207 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.346 179.801 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -58.56 164.06 9.81 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.379 2.053 . . . . 0.0 112.012 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.18 -46.76 2.01 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.618 2.212 . . . . 0.0 112.154 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -48.01 -34.89 10.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.569 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.64 -51.27 17.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.59 -38.66 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.709 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -58.0 -44.92 87.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.652 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.53 -24.35 64.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.423 ' C ' ' SD ' ' A' ' 59' ' ' MET . 10.8 tmm? -78.19 -54.31 6.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.619 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.66 -21.75 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.768 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.6 tm-20 -66.51 -62.03 1.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.459 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -54.21 -31.01 51.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -62.45 -63.4 1.24 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.788 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.7 -29.15 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -43.15 75.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -101.59 -1.55 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.776 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.69 94.81 0.01 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.7 -147.39 4.79 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.588 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -124.26 162.82 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 0.0 110.369 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 t -144.77 133.9 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.661 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ARG . 9.3 m-20 -103.83 112.69 25.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.319 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' A' ' 74' ' ' GLU . 1.9 tp -69.18 -29.9 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.354 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 10.81 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.635 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -166.23 1.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.58 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' ASP . 4.1 ttt-85 41.44 55.02 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.522 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -113.83 148.38 36.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.82 115.45 45.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -142.6 142.93 32.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 80' ' ' GLN . 9.7 p -94.53 155.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.641 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.453 ' N ' HG22 ' A' ' 79' ' ' VAL . 55.0 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.441 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.716 0.293 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -51.87 102.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.687 2.258 . . . . 0.0 112.074 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -166.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.672 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.85 125.55 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.483 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -87.74 152.03 22.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.45 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -136.39 140.91 43.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.426 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -109.88 85.27 2.07 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.95 133.75 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.746 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -96.35 124.42 40.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.651 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -122.05 105.16 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.409 ' O ' HG23 ' B' ' 12' ' ' VAL . 3.2 m -94.76 134.14 33.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.739 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.64 95.1 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.207 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -137.62 149.38 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.693 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.446 HG13 ' O ' ' B' ' 15' ' ' VAL . 14.6 p -119.82 129.52 75.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.689 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.478 ' HB2' ' NH2' ' A' ' 10' ' ' ARG . . . 51.71 -176.97 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.621 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.7 -82.32 0.08 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -89.52 166.26 13.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.346 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -149.37 111.8 4.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.62 HG11 HG21 ' B' ' 60' ' ' VAL . 7.1 p -106.84 154.86 7.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.45 ' N ' HG22 ' B' ' 20' ' ' VAL . 0.3 OUTLIER -101.99 140.56 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.685 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.1 t -142.68 118.56 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -83.85 126.47 32.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.457 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.632 HD11 ' HB1' ' B' ' 64' ' ' ALA . 2.0 mt -137.96 129.26 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.545 ' HB3' ' CG1' ' B' ' 33' ' ' VAL . . . -101.66 139.84 36.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -133.57 154.65 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.656 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 44.7 p -128.72 -72.68 0.6 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.573 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.478 ' N ' ' OG1' ' B' ' 27' ' ' THR . 1.9 mt-10 -78.32 20.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 52.17 12.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' B' ' 28' ' ' GLU . . . -137.8 -34.58 0.19 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -101.55 130.3 47.81 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.542 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.434 ' O ' HG13 ' B' ' 32' ' ' VAL . 10.2 p -107.55 129.53 61.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.719 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.928 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -65.73 -94.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.928 ' H ' HG13 ' B' ' 33' ' ' VAL . 4.2 t -135.65 137.63 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.461 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.43 143.43 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.629 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -132.51 102.15 5.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.54 150.5 38.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.656 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -72.55 119.66 17.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.795 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 32.8 p90 -78.15 -13.44 59.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.795 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 53.6 m-20 -77.63 -64.45 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 29.4 mt-10 -56.49 -34.19 66.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 99.1 m -69.59 -38.44 77.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.621 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -69.38 -48.89 59.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.62 -61.44 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.541 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.08 -20.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.618 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.11 -18.74 79.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -86.45 -54.54 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 110.774 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.61 -10.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.687 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 28.9 p -110.05 -44.57 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.62 30.13 5.67 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.74 156.42 71.12 Favored Pre-proline 0 C--N 1.332 -0.189 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.92 161.87 43.91 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.333 2.022 . . . . 0.0 111.942 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.97 -48.31 0.38 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.583 2.189 . . . . 0.0 112.181 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -44.04 -49.68 8.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.718 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -52.02 -35.61 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.457 ' O ' HG12 ' B' ' 60' ' ' VAL . 12.1 t -83.37 -47.39 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -45.89 -43.62 13.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.54 -62.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.994 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.4 tmm? -45.63 -44.0 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.62 HG21 HG11 ' B' ' 20' ' ' VAL . 1.2 p -72.93 -28.38 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.97 -62.08 1.53 Allowed 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.367 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.11 -31.68 8.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.281 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -69.58 -30.87 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.7 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.632 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -71.31 -20.56 62.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ARG . . . . . 0.541 HH22 HG21 ' B' ' 24' ' ' ILE . 1.9 mmp_? -81.41 -40.27 23.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -18.58 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 51.88 91.22 0.01 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.78 -123.79 2.0 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.691 ' HE1' HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -153.24 140.52 19.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.61 0.243 . . . . 0.0 110.446 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.628 ' N ' ' CD1' ' B' ' 69' ' ' TRP . 47.9 t -130.53 157.78 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.497 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.5 OUTLIER -112.63 128.48 56.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.963 179.393 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' B' ' 74' ' ' GLU . 6.8 mt -84.08 -50.66 7.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.939 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 16.6 0.46 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.0 mm-40 -148.51 -10.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.554 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 41.18 60.17 2.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.67 139.45 47.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.0 mt -103.43 126.8 57.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -139.12 179.27 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.706 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 45.7 t -127.93 142.89 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.486 1.058 0 CA-C-O 120.796 0.248 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.12 134.82 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.588 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -151.6 147.54 26.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -82.49 136.62 34.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.459 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -110.29 131.09 55.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.458 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.05 105.47 17.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.1 t -84.87 129.02 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -83.0 132.83 35.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.746 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t -124.98 100.45 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.337 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.6 m -99.56 96.2 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.527 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.673 ' OE1' HD22 ' B' ' 72' ' ' LEU . 1.0 OUTLIER -101.09 95.05 6.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 179.707 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 14' ' ' VAL . 9.0 p -154.53 129.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.664 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 7.4 p -137.21 107.79 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.496 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 163.4 151.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.581 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.48 -164.28 32.23 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.45 -177.2 1.74 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 0.0 110.559 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -138.0 120.05 15.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.532 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.515 HG22 ' OE2' ' A' ' 41' ' ' GLU . 59.3 t -104.03 139.48 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -101.44 109.12 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.22 159.74 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -137.6 115.57 11.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.482 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.4 mt -131.42 139.3 51.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.568 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.14 137.46 41.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.41 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -133.42 147.15 51.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.6 p -105.51 -60.32 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.596 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' C ' ' H ' ' A' ' 30' ' ' GLY . 4.3 tt0 -98.89 15.47 25.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 60.58 2.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -110.96 -45.65 0.87 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -99.89 161.01 13.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.363 . . . . 0.0 110.591 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.705 ' O ' HG13 ' A' ' 32' ' ' VAL . 11.2 p -126.83 105.47 14.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.433 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.713 HG13 ' H ' ' A' ' 34' ' ' THR . 7.5 p -52.82 -59.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.814 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.713 ' H ' HG13 ' A' ' 33' ' ' VAL . 2.7 p -148.13 163.49 36.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.627 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.8 m -129.14 138.26 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.446 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -132.35 163.71 28.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.1 155.69 38.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.28 114.82 11.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.463 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -74.75 -14.3 60.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.36 -64.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.545 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.515 ' OE2' HG22 ' A' ' 20' ' ' VAL . 1.7 pp20? -54.24 -33.43 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.57 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -47.27 76.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -70.45 -41.18 73.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.649 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.04 -42.66 85.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.65 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.7 mt -83.48 -20.01 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -53.39 -18.7 7.48 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -83.55 -32.2 25.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.572 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 10.3 tt0 -71.15 -28.89 64.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -84.79 -49.83 8.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.98 -18.96 51.08 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.58 156.87 56.0 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.398 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -38.43 157.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.426 2.084 . . . . 0.0 111.71 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.79 -59.44 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 122.343 2.029 . . . . 0.0 112.162 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -49.13 -41.94 37.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -48.64 -33.75 10.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.54 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 60' ' ' VAL . 18.3 t -79.33 -36.69 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.618 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -58.27 -54.7 44.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.47 83.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.442 ' SD ' HG21 ' A' ' 70' ' ' VAL . 12.0 tmm? -64.14 -36.97 85.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.697 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 56' ' ' VAL . 41.8 t -67.71 -63.82 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -43.64 -38.68 3.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.364 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.6 -47.28 79.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.689 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -56.69 -51.43 68.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.539 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.92 -30.23 4.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -46.87 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.51 5.72 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.11 75.47 0.12 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.52 -154.07 6.35 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -124.97 176.61 6.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.442 HG21 ' SD ' ' A' ' 59' ' ' MET . 10.0 t -135.32 132.77 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.71 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.27 113.04 25.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.589 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 74' ' ' GLU . 4.2 mp -76.02 -33.99 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.589 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -42.82 -20.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' LEU . 2.9 tp10 -158.19 19.98 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 42.57 89.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -145.84 164.58 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 mt -138.75 123.41 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.651 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.24 157.85 45.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.14 139.84 18.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.538 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.451 HG22 ' O ' ' B' ' 2' ' ' VAL . 1.7 p . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 111.236 0.087 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.0 96.47 0.74 Allowed 'Trans proline' 0 N--CA 1.487 1.092 0 C-N-CA 122.221 1.947 . . . . 0.0 112.198 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.22 147.34 48.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.467 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -137.6 150.65 47.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -100.37 149.07 24.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.3 -179.98 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.506 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.94 87.76 1.57 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.567 HG12 ' N ' ' B' ' 10' ' ' ARG . 73.7 t -83.68 161.72 3.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.567 ' N ' HG12 ' B' ' 9' ' ' VAL . 3.3 tpp180 -128.01 123.36 34.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -105.93 101.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.412 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 16' ' ' ALA . 5.8 m -93.07 139.59 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -145.69 95.12 2.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.592 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -154.41 155.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.617 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 8.5 p -131.48 123.55 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.564 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 165.7 160.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.517 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.7 165.89 26.85 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -94.18 -168.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 110.648 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -145.98 124.25 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.75 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.74 119.4 57.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.7 t -78.38 138.62 38.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.633 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.0 t -133.52 122.11 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.475 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -81.84 104.55 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.647 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.403 HD11 ' HB1' ' B' ' 64' ' ' ALA . 44.1 mt -107.01 148.4 11.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.414 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.86 119.8 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -103.02 152.92 20.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.387 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -133.47 -44.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.691 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -101.17 8.87 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 53.4 60.38 3.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 169.96 -13.18 0.05 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -139.46 154.9 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.686 0.279 . . . . 0.0 110.575 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.507 HG11 ' HG3' ' B' ' 65' ' ' ARG . 2.0 p -107.56 94.77 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.482 ' H ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -43.39 -51.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.187 0.518 . . . . 0.0 110.703 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.09 163.59 38.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.53 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 p -151.22 143.2 16.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.524 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -132.8 99.61 4.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.79 138.49 39.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.637 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.48 118.1 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 1.11 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 33.2 p90 -74.75 -30.46 61.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.622 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 1.11 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 25.7 m-20 -66.84 -64.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -50.83 -31.7 17.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 52.0 m -74.79 -38.21 62.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -79.05 -55.83 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.469 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.92 -52.33 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.449 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.64 ' O ' HG23 ' B' ' 49' ' ' THR . 77.8 mt -74.79 -35.54 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.372 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.51 -22.85 8.42 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -77.55 -54.15 6.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.981 0.419 . . . . 0.0 110.512 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -62.37 -21.72 65.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.64 HG23 ' O ' ' B' ' 45' ' ' ILE . 68.5 p -84.63 -39.07 19.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.612 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.36 33.6 31.41 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 mt -125.4 132.6 24.35 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' B' ' 54' ' ' ARG . 90.2 Cg_exo -37.99 102.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 122.225 1.95 . . . . 0.0 112.207 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -46.73 -10.76 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.165 1.91 . . . . 0.0 112.137 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' B' ' 52' ' ' PRO . 40.3 ttt85 -69.38 -54.9 12.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.227 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -66.54 -39.56 88.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -50.23 -41.97 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -64.09 -45.94 86.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.85 -21.48 64.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.674 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.8 tmm? -76.22 -58.83 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.515 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.583 ' N ' ' SD ' ' B' ' 59' ' ' MET . 2.2 p -66.09 -11.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.602 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -82.03 -56.48 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.349 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.09 -37.56 21.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -63.21 -58.15 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.553 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.403 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -43.53 -24.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.498 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ARG . . . . . 0.507 ' HG3' HG11 ' B' ' 32' ' ' VAL . 3.6 ttp180 -75.79 -45.32 36.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -101.54 6.93 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.584 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 48.6 100.52 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.1 176.24 40.11 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.511 ' CD2' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -101.02 173.86 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.87 0.367 . . . . 0.0 110.676 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.553 HG12 ' N ' ' B' ' 71' ' ' ASP . 49.3 t -135.67 162.44 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.57 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.553 ' N ' HG12 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -150.85 112.96 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.673 HD22 ' OE1' ' A' ' 13' ' ' GLN . 5.7 mp -79.46 -20.08 48.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.87 -32.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.386 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.39 30.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.476 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 47.78 83.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.655 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -140.03 159.46 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 10.2 mt -143.72 107.78 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.501 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -84.77 117.74 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.492 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.667 HG12 ' H ' ' B' ' 80' ' ' GLN . 2.4 t -69.92 -139.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.667 ' H ' HG12 ' B' ' 79' ' ' VAL . 12.8 mm-40 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.514 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 N--CA 1.494 1.516 0 CA-C-O 120.831 0.263 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.67 139.57 7.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.591 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -169.54 147.96 3.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.658 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -77.2 136.95 38.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.398 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -110.39 154.43 23.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.291 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.519 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -126.67 87.47 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.534 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.2 t -78.31 110.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.525 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -91.59 123.45 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.646 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -104.16 111.0 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.337 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 12' ' ' VAL . 19.5 m -100.18 113.45 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.644 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.09 98.82 6.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 p -154.67 152.51 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.577 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.662 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -140.61 119.68 11.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.595 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 163.4 154.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.612 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.23 -174.26 44.36 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -168.18 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.617 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -139.37 119.51 13.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.514 HG13 ' CD ' ' A' ' 41' ' ' GLU . 97.1 t -101.65 154.62 4.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.625 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.426 ' N ' HG12 ' A' ' 20' ' ' VAL . 13.3 t -113.92 136.92 52.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 36' ' ' LYS . 67.0 t -138.59 153.56 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' N ' HG12 ' A' ' 22' ' ' VAL . 5.8 ttpt -126.76 103.61 7.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.703 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 24' ' ' ILE . 11.0 mt -101.73 123.27 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.381 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.16 36.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -107.02 150.87 26.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.476 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.484 ' C ' ' H ' ' A' ' 29' ' ' GLU . 4.3 p -114.53 -102.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.494 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.14 19.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.5 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 27' ' ' THR . 14.5 tt0 60.59 44.11 11.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.0 -46.67 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -139.39 155.18 47.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.562 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -107.39 114.72 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.46 -43.66 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.266 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.472 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 92.8 m -151.28 150.14 30.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.707 0.289 . . . . 0.0 110.986 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.18 109.95 27.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.463 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.576 ' O ' HG13 ' A' ' 22' ' ' VAL . 2.1 mptt -82.9 170.36 15.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.751 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.44 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -156.28 20.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 38' ' ' GLU . 0.3 OUTLIER 47.04 96.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.451 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -68.94 -15.5 63.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -75.93 -63.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.514 ' CD ' HG13 ' A' ' 20' ' ' VAL . 1.3 pp20? -56.46 -25.53 51.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.485 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 94.1 m -74.57 -37.74 62.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -74.5 -30.2 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -75.54 -39.73 57.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.621 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -69.33 -30.42 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -49.34 -24.07 4.84 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.61 -28.7 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -81.43 -32.23 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.853 HG22 HD21 ' A' ' 72' ' ' LEU . 20.0 p -85.48 -50.01 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.544 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.89 -26.13 25.78 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -79.9 156.4 74.82 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.335 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -40.06 158.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 122.216 1.944 . . . . 0.0 111.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.57 -51.94 0.15 Allowed 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.277 1.985 . . . . 0.0 112.183 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -38.48 3.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.599 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.31 -52.58 62.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.706 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.8 t -65.22 -48.17 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.717 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -45.92 -54.79 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.727 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.67 -20.13 66.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -59.9 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.487 HG11 HG11 ' A' ' 20' ' ' VAL . 67.0 t -65.93 -15.25 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.799 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -75.0 -63.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.52 -47.02 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -54.51 -59.79 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.62 -23.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.526 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 63' ' ' ALA . 0.8 OUTLIER -75.47 -41.8 54.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.521 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -110.5 11.4 8.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.16 94.1 0.01 OUTLIER Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.16 -167.83 11.74 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 2.1 m95 -109.12 144.84 36.64 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -107.79 142.64 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -132.86 117.49 17.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.075 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.853 HD21 HG22 ' A' ' 49' ' ' THR . 1.8 mp -84.4 -57.81 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.004 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' B' ' 14' ' ' VAL . 14.5 mmtt -66.44 6.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.2 mt-10 -138.48 -10.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 41.65 56.18 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 77' ' ' ILE . 16.3 tp10 -140.58 148.13 40.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.503 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.496 ' H ' ' CD ' ' A' ' 76' ' ' GLU . 4.6 mt -118.36 102.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -68.48 124.41 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 80' ' ' GLN . 11.3 p -75.01 154.73 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.393 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.439 ' N ' HG22 ' A' ' 79' ' ' VAL . 20.6 tt0 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.4 ' O ' HG12 ' B' ' 2' ' ' VAL . 93.8 t . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.588 0.233 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.34 102.25 1.03 Allowed 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.675 2.25 . . . . 0.0 112.205 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.0 m -79.11 167.83 20.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.544 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -141.16 147.08 37.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.457 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -95.04 141.3 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.608 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.0 -179.37 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.501 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.12 111.89 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.485 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t -101.09 150.12 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.531 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -107.89 123.39 48.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 72.3 t -106.19 99.5 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 m -103.45 134.71 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.46 95.08 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.094 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 73' ' ' LYS . 9.3 p -93.4 140.09 17.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -133.14 136.11 55.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.81 169.19 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.68 -140.92 3.73 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -171.49 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.707 0.289 . . . . 0.0 110.574 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -148.65 140.76 23.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 99.2 t -130.19 148.79 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.2 t -103.14 127.3 50.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.479 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.31 146.84 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.651 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -122.35 116.21 23.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.494 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 16.1 tt -136.68 139.83 44.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.378 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.26 152.07 37.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.725 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -104.28 165.23 11.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.318 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.494 ' C ' ' H ' ' B' ' 29' ' ' GLU . 71.7 p -122.92 -74.42 0.62 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.445 ' N ' ' OG1' ' B' ' 27' ' ' THR . 9.2 mt-10 -73.92 21.52 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.662 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' B' ' 27' ' ' THR . 2.5 tt0 49.62 19.2 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.681 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.59 -53.02 0.07 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' B' ' 28' ' ' GLU . 17.3 pt-20 -110.99 133.37 53.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.396 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.82 105.02 18.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.565 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.677 HG22 ' O ' ' B' ' 33' ' ' VAL . 9.7 p -122.15 50.64 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 49.3 p -150.41 90.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.597 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.435 ' O ' HG13 ' B' ' 35' ' ' VAL . 15.0 p -138.32 129.88 37.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.7 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -132.6 92.55 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.708 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.75 153.85 32.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.581 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.38 116.89 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.486 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -72.72 -12.41 61.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.693 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -77.68 -64.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.678 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -52.35 -36.26 53.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 m -63.07 -50.34 70.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -70.42 -52.68 20.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.99 -44.24 4.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.448 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -84.07 -26.27 7.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.83 -27.91 14.76 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.18 -36.55 64.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.843 0.354 . . . . 0.0 110.598 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.02 -11.06 60.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.3 p -96.76 -50.15 4.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.637 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.81 17.55 51.3 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.5 156.19 70.86 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -34.78 99.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.947 2.431 . . . . 0.0 112.398 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -48.07 -16.14 0.54 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.196 1.931 . . . . 0.0 112.089 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -72.62 -50.08 27.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.467 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.45 -21.17 59.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.49 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -77.82 -36.59 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.608 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -61.83 -55.06 33.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.57 -36.66 79.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -55.82 -41.07 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 5.5 t -67.0 -57.92 8.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -43.38 -57.9 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.414 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.0 -44.84 7.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.982 0.42 . . . . 0.0 110.391 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -60.48 -61.91 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.506 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.55 -20.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.673 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.0 OUTLIER -75.54 -47.47 26.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.701 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -108.13 6.55 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.741 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 40.49 93.62 0.01 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.13 -168.97 17.01 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.737 ' O ' HG23 ' B' ' 77' ' ' ILE . 2.5 m95 -108.65 150.1 28.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.705 0.288 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 44.4 t -128.24 134.9 64.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.728 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.92 130.08 56.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.221 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.442 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -93.0 -59.53 2.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -69.92 8.49 0.71 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' B' ' 72' ' ' LEU . 1.9 mt-10 -139.04 -11.56 1.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.588 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 44.61 66.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.413 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 74' ' ' GLU . 0.5 OUTLIER -146.92 150.94 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.638 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.737 HG23 ' O ' ' B' ' 69' ' ' TRP . 14.3 mt -140.23 134.28 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 158.22 39.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.558 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 16.7 t -85.49 149.46 4.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.798 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 4' ' ' SER . 71.6 Cg_endo . . . . . 0 N--CA 1.485 0.99 0 CA-C-O 120.733 0.222 . . . . 0.0 112.134 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -42.69 166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.599 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -143.48 130.73 20.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -99.9 143.63 29.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.768 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.79 125.37 53.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.38 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -91.44 96.28 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.89 143.7 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.459 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -107.12 133.2 52.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 t -129.16 100.83 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.71 HG12 ' O ' ' B' ' 16' ' ' ALA . 14.5 m -101.19 115.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.806 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.71 96.4 5.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.017 0.437 . . . . 0.0 110.276 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -152.3 148.6 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.743 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.568 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -140.14 106.77 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.656 ' O ' HG12 ' B' ' 12' ' ' VAL . . . 169.83 164.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.536 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.704 ' H ' ' NH1' ' B' ' 10' ' ' ARG . . . 162.11 -149.0 16.87 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.519 ' O ' ' NH2' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -88.23 -174.57 4.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.669 0.271 . . . . 0.0 110.571 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -145.72 150.77 36.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.69 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -135.48 147.79 28.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.488 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -101.27 134.83 43.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.577 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 36' ' ' LYS . 21.0 t -142.94 139.59 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -106.62 123.71 48.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.462 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mp -127.69 126.94 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.505 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.67 117.4 33.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' O ' HG23 ' B' ' 2' ' ' VAL . 2.1 tt0 -96.68 164.97 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.52 -62.4 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.57 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.462 ' C ' ' N ' ' A' ' 30' ' ' GLY . 4.5 tp10 -77.31 10.85 2.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 48.11 13.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 28' ' ' GLU . . . -143.12 -18.07 0.25 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -139.35 151.02 46.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 110.554 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.6 p -107.54 116.83 51.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.663 HG13 ' N ' ' A' ' 34' ' ' THR . 7.1 p -49.83 -55.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.713 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.663 ' N ' HG13 ' A' ' 33' ' ' VAL . 28.4 m -151.29 150.5 30.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.769 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.6 m -123.88 125.24 70.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.602 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -101.06 172.9 6.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.27 130.89 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.36 104.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.642 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.939 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 33.9 p90 -59.21 -25.64 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.55 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -71.05 -64.13 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 8.7 mm-40 -44.17 -35.29 2.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.598 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -76.88 -43.98 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.645 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.939 ' NH2' ' CE1' ' A' ' 39' ' ' PHE . 44.7 mtp180 -62.18 -56.73 15.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -53.28 -34.24 56.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.468 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -72.24 -30.86 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.3 -25.68 8.52 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.87 -28.29 58.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.8 0.334 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -80.83 -31.07 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.507 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.591 HG22 ' CD2' ' A' ' 72' ' ' LEU . 50.9 p -86.14 -49.81 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.743 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.77 -18.85 54.35 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.4 156.5 56.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -38.61 157.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.367 2.044 . . . . 0.0 111.851 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -71.51 -55.86 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.287 1.991 . . . . 0.0 112.03 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.76 -52.39 6.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -48.1 -33.27 7.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -81.09 -30.96 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.7 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -67.84 -54.84 15.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.5 73.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.582 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 59' ' ' MET . 9.3 tmm? -67.32 -50.91 58.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.1 t -71.83 -39.08 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.0 tm-20 -61.34 -58.71 7.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.509 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.436 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -44.98 -44.99 10.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.89 -59.4 5.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.575 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.36 -20.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' ALA . 5.3 ttt180 -77.61 -47.45 19.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.808 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.06 3.35 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.76 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 52.65 106.1 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.7 168.9 40.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.49 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -100.91 150.83 22.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.487 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG22 HG12 ' A' ' 77' ' ' ILE . 97.6 t -118.81 150.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.502 ' OD1' ' NZ ' ' B' ' 73' ' ' LYS . 0.9 OUTLIER -126.49 116.95 21.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.202 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.591 ' CD2' HG22 ' A' ' 49' ' ' THR . 3.5 mp -82.7 -56.13 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -69.0 10.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.845 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 72' ' ' LEU . 6.5 mt-10 -143.35 -4.91 0.87 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.531 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 41.95 71.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.455 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -156.06 136.17 12.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.466 HG12 HG22 ' A' ' 70' ' ' VAL . 89.2 mt -126.33 103.1 10.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.391 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -97.67 147.05 24.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.509 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -101.78 -155.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 79' ' ' VAL . 17.2 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.632 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.738 ' O ' HG13 ' B' ' 2' ' ' VAL . 7.8 p . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 111.309 0.114 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -85.07 92.51 0.7 Allowed 'Trans proline' 0 C--N 1.317 -1.092 0 C-N-CA 122.287 1.991 . . . . 0.0 112.134 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.48 147.56 25.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.24 146.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -85.09 146.27 27.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.36 134.74 52.0 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -102.34 89.94 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.404 HG23 ' H ' ' B' ' 9' ' ' VAL . 0.2 OUTLIER -62.3 167.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.444 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.704 ' NH1' ' H ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -136.84 123.2 20.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 t -111.29 106.25 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.673 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 16' ' ' ALA . 4.8 m -104.82 122.18 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.515 ' N ' ' OE1' ' B' ' 13' ' ' GLN . 2.5 mp0 -128.69 94.9 3.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.396 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.43 155.15 6.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.707 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 0.0 OUTLIER -140.39 113.8 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.436 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.71 ' O ' HG12 ' A' ' 12' ' ' VAL . . . 175.83 152.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.613 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.6 167.2 32.27 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' TRP . . . . . 0.511 ' CZ3' ' OE2' ' B' ' 48' ' ' GLU . 0.0 OUTLIER -65.72 -172.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.707 0.289 . . . . 0.0 110.572 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 54.4 mtm-85 -144.63 122.53 12.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.708 HG13 ' OE1' ' B' ' 41' ' ' GLU . 82.5 t -96.63 152.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.16 128.11 53.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.459 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 t -130.47 140.31 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.495 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -101.06 131.64 46.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.2 124.13 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.543 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -95.56 119.26 33.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -133.49 126.28 30.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.4 p -90.58 -151.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.504 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -96.58 -30.81 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.531 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -42.81 -31.63 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 37.46 4.68 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -139.52 155.08 47.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.799 0.333 . . . . 0.0 110.555 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.42 ' O ' HG13 ' B' ' 32' ' ' VAL . 9.9 p -107.57 130.94 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.558 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.948 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -73.95 -97.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.431 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.948 ' H ' HG13 ' B' ' 33' ' ' VAL . 1.8 t -134.82 144.08 47.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 110.469 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 m -98.49 140.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -132.81 104.62 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.98 169.07 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.729 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -91.52 123.67 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -75.76 -14.36 60.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.651 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -77.17 -51.61 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.737 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.708 ' OE1' HG13 ' B' ' 20' ' ' VAL . 0.8 OUTLIER -67.28 -26.05 66.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.655 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.78 -32.26 61.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -40.62 64.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.72 -29.08 62.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -74.2 -29.15 24.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.469 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.09 -23.74 48.02 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -72.73 -29.33 63.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.605 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLU . . . . . 0.511 ' OE2' ' CZ3' ' B' ' 18' ' ' TRP . 16.1 mt-10 -83.15 -28.26 29.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -85.83 -49.92 7.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.53 15.93 44.84 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.28 157.21 68.34 Favored Pre-proline 0 C--N 1.332 -0.152 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.419 ' O ' HG23 ' B' ' 56' ' ' VAL . 75.4 Cg_exo -38.74 157.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.502 2.134 . . . . 0.0 111.773 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.31 -56.04 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.131 1.887 . . . . 0.0 112.098 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -44.33 -51.03 8.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -49.14 -31.0 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.652 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 52' ' ' PRO . 17.0 t -83.08 -48.98 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.644 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -49.34 -40.67 36.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.08 -50.85 44.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.3 tmm? -58.25 -39.12 78.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.647 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.468 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 78.1 t -79.72 -41.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.34 -51.43 66.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.197 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.18 85.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.352 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -43.94 -63.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.584 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.72 37.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -59.41 -25.93 64.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.765 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -6.22 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.645 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 41.07 90.67 0.01 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -147.11 -117.14 0.98 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.523 ' CZ3' ' OD2' ' B' ' 71' ' ' ASP . 2.9 p-90 -159.26 154.69 25.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.437 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.674 HG22 HG22 ' B' ' 77' ' ' ILE . 46.5 t -135.87 137.69 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.749 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.523 ' OD2' ' CZ3' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -116.31 112.68 21.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.926 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' B' ' 74' ' ' GLU . 1.0 OUTLIER -77.09 -6.87 54.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.479 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 73' ' ' LYS . . . . . 0.502 ' NZ ' ' OD1' ' A' ' 71' ' ' ASP . 28.7 mtmt -41.98 -24.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 0.0 110.258 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' B' ' 72' ' ' LEU . 2.3 mm-40 -168.81 17.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.345 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 66.95 94.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.579 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -159.79 132.72 6.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.665 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.674 HG22 HG22 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -109.7 129.06 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.442 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -138.17 165.11 27.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.646 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.89 111.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.521 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo . . . . . 0 N--CA 1.492 1.383 0 CA-C-O 120.716 0.215 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -115.15 155.9 26.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -171.7 147.45 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -84.36 147.43 27.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -110.23 178.31 4.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.1 114.43 7.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.528 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -100.9 113.58 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.5 ttp85 -92.82 123.44 36.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -110.3 113.21 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.5 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 16' ' ' ALA . 8.7 m -105.82 162.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.423 ' CD ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -128.5 148.71 50.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.407 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.433 ' H ' ' HB2' ' B' ' 73' ' ' LYS . 63.5 t -80.19 141.76 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.9 t -140.21 143.31 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.672 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.22 169.7 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.52 -138.31 2.65 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -86.96 171.3 10.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 110.682 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.2 mtm-85 -143.47 128.82 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.663 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.5 t -100.83 139.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.61 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.87 108.94 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -106.4 144.0 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.466 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -97.43 135.56 39.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.568 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 mt -145.22 119.55 2.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.69 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -103.08 111.6 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.759 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -105.63 141.62 36.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.5 p -98.56 -157.8 0.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -96.42 -45.04 6.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -41.52 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' GLU . . . 103.15 -2.32 47.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -99.49 155.23 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.692 0.282 . . . . 0.0 110.38 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -107.54 130.67 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.565 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.98 HG13 ' H ' ' A' ' 34' ' ' THR . 2.4 p -59.86 -95.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.98 ' H ' HG13 ' A' ' 33' ' ' VAL . 32.6 m -137.76 148.73 45.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.907 0.384 . . . . 0.0 110.578 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 m -100.14 145.01 11.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.529 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -132.67 118.06 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.524 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.5 142.65 27.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.638 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.62 118.21 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.526 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.864 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 32.6 p90 -76.01 -30.9 58.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.529 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.864 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 39.9 m-20 -51.99 -64.72 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.4 -49.32 77.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.703 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -38.91 63.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.48 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.673 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 7.0 mtt180 -67.7 -47.69 68.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.485 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -67.72 -28.73 67.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -74.4 -33.03 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.82 -29.72 4.5 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -69.75 -37.6 76.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 0.0 110.558 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.51 -31.38 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.427 HG22 HD21 ' A' ' 72' ' ' LEU . 81.5 p -84.87 -49.35 8.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.549 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.64 -12.13 56.51 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.89 156.62 34.93 Favored Pre-proline 0 C--N 1.33 -0.245 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.379 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -38.69 157.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.415 2.077 . . . . 0.0 111.757 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.9 -50.39 0.35 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.317 2.011 . . . . 0.0 112.053 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.8 -54.23 5.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -44.84 -34.49 2.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.0 t -83.08 -47.6 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -47.19 -46.68 24.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.577 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.37 -65.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.807 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 59' ' ' MET . 7.8 tmm? -42.95 -43.28 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.43 -33.87 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -69.26 -57.89 4.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.583 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.06 -42.75 6.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.431 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -53.14 -62.7 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.21 -20.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.671 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 63' ' ' ALA . 12.3 ttt180 -80.74 -31.4 36.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.726 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -113.39 -1.92 10.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.907 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 154.61 -97.09 0.17 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.462 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 149.33 76.58 0.02 OUTLIER Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.746 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.406 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 12.2 t-105 -161.65 135.89 6.89 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -147.13 162.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -143.01 112.78 6.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.779 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.427 HD21 HG22 ' A' ' 49' ' ' THR . 10.4 mp -80.63 -26.35 37.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -58.19 -20.66 43.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.237 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -142.35 5.6 1.65 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.2 ttt85 48.68 87.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.366 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -157.37 135.24 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.59 133.47 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.423 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -138.37 175.39 9.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.018 0.437 . . . . 0.0 110.729 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.69 144.01 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.239 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.427 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.626 0.25 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.14 111.18 1.86 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.828 2.352 . . . . 0.0 112.229 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -169.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.588 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -170.57 138.21 1.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.337 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -87.09 137.06 32.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.11 132.08 54.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.641 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.64 94.39 6.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 94.4 t -77.91 111.6 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -73.98 136.73 43.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -135.98 86.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.37 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -85.16 140.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.773 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.53 94.63 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -151.8 133.0 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.077 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 t -119.79 104.35 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.42 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -166.25 173.5 10.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.34 169.77 22.25 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -94.0 -172.34 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.559 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -145.64 115.22 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.37 128.07 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -78.38 139.91 38.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.46 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 74.0 t -142.76 137.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.599 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -100.75 125.14 47.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 110.352 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.776 HD11 ' HB1' ' B' ' 64' ' ' ALA . 6.3 mt -134.29 123.15 42.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.606 ' HB3' HG11 ' B' ' 33' ' ' VAL . . . -99.39 140.57 33.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -133.44 142.68 48.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 10.8 p -106.19 -66.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.515 ' N ' ' OG1' ' B' ' 27' ' ' THR . 0.6 OUTLIER -96.68 3.98 52.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 68.96 -8.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -96.99 -15.21 39.93 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.51 160.93 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.163 -0.215 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.447 ' O ' HG13 ' B' ' 32' ' ' VAL . 10.5 p -122.44 128.57 75.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.547 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.935 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -64.21 -97.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.366 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.935 ' H ' HG13 ' B' ' 33' ' ' VAL . 54.6 m -137.02 124.03 21.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.736 0.303 . . . . 0.0 110.454 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 m -87.52 146.98 5.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -132.8 88.67 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.523 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.76 147.51 47.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.548 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.427 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 2.5 tp10 -69.09 113.21 6.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.443 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 45.6 p90 -74.62 -6.66 49.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.443 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 25.6 m-20 -77.61 -64.78 1.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 10.2 mt-10 -58.87 -38.15 78.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 74.7 m -57.39 -44.64 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.618 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -56.62 8.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.665 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -55.36 -24.06 27.49 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.648 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -76.14 -28.98 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.468 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.48 -18.8 70.17 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.1 -20.26 45.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.676 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -70.81 -53.09 16.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.744 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.459 ' OG1' HD13 ' B' ' 72' ' ' LEU . 1.3 m -88.93 -34.89 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.91 33.53 10.94 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.415 HD11 ' CD2' ' B' ' 72' ' ' LEU . 6.2 pt -111.15 148.55 38.93 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' B' ' 54' ' ' ARG . 74.4 Cg_exo -33.49 98.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.242 0 C-N-CA 122.886 2.391 . . . . 0.0 112.488 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -49.15 -7.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.191 1.927 . . . . 0.0 112.337 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' B' ' 52' ' ' PRO . 29.3 ttp85 -74.01 -56.75 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.501 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -55.3 -19.21 7.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.579 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 14.3 t -74.01 -54.75 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -46.5 -39.81 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.555 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.24 -61.13 2.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.543 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.479 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.0 tmm? -46.67 -51.81 15.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.423 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.479 ' N ' ' SD ' ' B' ' 59' ' ' MET . 24.7 t -58.14 -40.63 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -67.07 -53.68 28.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.493 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.93 -28.02 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.388 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -66.03 -63.19 1.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.321 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.776 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -44.21 -23.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' B' ' 63' ' ' ALA . 6.3 ttt180 -73.29 -44.11 59.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.526 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -102.97 -0.74 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.541 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 42.28 95.91 0.01 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.76 -162.95 20.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -105.95 165.44 11.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -147.53 132.93 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.575 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 71' ' ' ASP . 0.3 OUTLIER -91.7 127.27 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.38 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.459 HD13 ' OG1' ' B' ' 49' ' ' THR . 2.7 mt -75.28 -52.46 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.647 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' LYS . . . . . 0.433 ' HB2' ' H ' ' A' ' 14' ' ' VAL . 6.9 mmtp -81.74 27.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.723 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.413 ' H ' ' H ' ' B' ' 75' ' ' ARG . 2.8 mt-10 -159.32 -0.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.508 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.413 ' H ' ' H ' ' B' ' 74' ' ' GLU . 7.6 ptp85 33.97 47.0 0.16 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.45 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -101.38 171.0 7.85 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.349 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 3.0 mt -141.59 116.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.623 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' LYS . . . . . 0.418 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 7.6 mmtp -105.63 154.16 20.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.322 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' B' ' 80' ' ' GLN . 1.6 p -106.95 147.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.589 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' B' ' 79' ' ' VAL . 19.9 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.493 1.485 0 CA-C-O 120.63 0.179 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.18 118.51 11.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.409 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.28 151.0 37.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -79.0 146.59 33.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.619 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.26 -178.85 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.386 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.82 117.81 6.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.635 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.477 HG21 HG22 ' B' ' 60' ' ' VAL . 26.0 t -101.55 123.09 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.476 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -86.22 123.65 31.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.765 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.78 104.42 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.222 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.738 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.7 m -104.3 96.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.059 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -103.64 94.2 5.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.029 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 p -155.08 144.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.07 107.24 12.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.471 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.666 ' O ' HG12 ' B' ' 12' ' ' VAL . . . -175.98 168.72 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.712 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.11 166.78 17.23 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 139.58 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.73 ' CD ' ' H ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -97.16 147.83 23.68 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.98 -179.631 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 21' ' ' SER . 55.4 t -110.25 157.39 10.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.223 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 20' ' ' VAL . 12.3 t -100.25 128.29 46.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.788 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -135.74 152.94 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.305 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -135.52 98.29 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.387 . . . . 0.0 110.643 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mt -103.69 154.3 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.457 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.15 106.27 7.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.97 145.1 25.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.52 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -104.77 -67.78 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.61 15.61 17.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.668 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 55.71 27.56 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.5 -17.03 0.52 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -139.22 146.85 40.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.685 0.279 . . . . 0.0 110.474 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.725 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.7 p -107.57 89.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.498 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.559 HG23 ' N ' ' A' ' 34' ' ' THR . 27.5 m -40.95 -45.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.559 ' N ' HG23 ' A' ' 33' ' ' VAL . 28.4 p -148.55 155.95 41.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 35' ' ' VAL . 7.8 p -144.7 103.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.402 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -100.47 160.03 14.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.02 146.04 27.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.439 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.84 93.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.638 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 45.1 p90 -62.1 -14.16 33.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.638 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 79.2 m-20 -77.61 -64.59 1.11 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 41' ' ' GLU . 83.8 mt-10 -48.98 -24.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.408 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.1 m -74.66 -40.12 61.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.455 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -69.06 -56.7 6.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.718 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -55.48 -25.69 38.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.629 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mm -80.57 -40.19 19.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.3 -18.89 0.97 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.98 -60.22 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.344 . . . . 0.0 110.654 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.31 -12.92 1.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.9 p -102.54 -42.49 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.628 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.27 -22.78 36.58 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.03 155.92 57.89 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -64.25 162.82 28.52 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.184 1.923 . . . . 0.0 112.064 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' VAL . 48.1 Cg_endo -70.54 -43.75 1.86 Allowed 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.713 2.276 . . . . 0.0 112.143 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -44.11 -43.38 6.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -26.59 66.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' PRO . 58.7 t -82.67 -52.23 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -46.46 -54.74 8.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.98 64.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' ' 59' ' ' MET . 7.8 tmm? -54.52 -34.94 62.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.705 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 61' ' ' GLU . 5.6 t -74.61 -64.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.85 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' N ' HG12 ' A' ' 60' ' ' VAL . 15.0 mt-10 -43.41 -48.7 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.489 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.86 -52.48 41.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 0.0 110.456 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.9 -53.49 56.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.382 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.6 -27.71 0.32 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.356 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -45.48 50.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.364 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -96.81 6.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.444 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.39 94.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.62 -179.08 36.99 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.537 ' HE1' ' CB ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -101.03 169.17 9.13 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.523 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.439 HG11 ' SD ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -131.25 144.47 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.872 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 75' ' ' ARG . 35.2 m-20 -118.0 113.09 21.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.317 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 74' ' ' GLU . 6.7 mp -71.44 -61.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.805 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' B' ' 14' ' ' VAL . 11.8 mmtm -71.62 40.09 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.57 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -172.6 -19.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.6 tpt180 47.1 70.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.546 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -138.95 134.4 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.684 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -111.36 123.76 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.537 ' CB ' ' HE1' ' A' ' 69' ' ' TRP . 17.3 mmtm -139.27 135.09 33.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -46.95 174.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.58 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.512 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.733 0.302 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -51.67 116.04 2.49 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.609 2.206 . . . . 0.0 112.018 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.2 t -140.4 138.36 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -155.4 150.15 26.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.433 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -77.27 141.73 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -112.99 128.87 56.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.507 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.52 121.4 42.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.539 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.8 t -106.94 111.89 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -83.29 130.23 35.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -111.44 107.45 22.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.516 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 16' ' ' ALA . 4.5 m -102.64 156.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.793 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.33 116.62 10.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.323 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.646 ' CG1' HG11 ' A' ' 12' ' ' VAL . 48.3 t -80.77 133.2 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.516 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' B' ' 16' ' ' ALA . 1.9 p -140.26 130.05 28.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' B' ' 15' ' ' VAL . . . 46.35 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.614 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.07 178.16 33.82 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.08 176.54 5.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.743 0.306 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 23.6 mtm105 -145.78 125.09 13.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 0.0 110.693 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.745 HG22 ' OE1' ' B' ' 41' ' ' GLU . 99.9 t -102.76 139.44 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.91 132.35 35.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.523 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 16.8 t -138.26 136.02 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.42 133.46 52.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.686 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.603 HD11 ' HB1' ' B' ' 64' ' ' ALA . 1.2 mt -140.56 126.98 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.576 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.656 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -104.72 121.97 44.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.576 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -107.29 151.42 25.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.558 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -106.07 -99.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.45 24.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 54.79 42.66 31.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.5 -22.61 0.09 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -139.28 150.17 45.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.595 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.2 p -107.55 125.97 63.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.96 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -59.44 -93.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.96 ' H ' HG13 ' B' ' 33' ' ' VAL . 1.6 m -136.71 115.93 12.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.764 0.316 . . . . 0.0 110.542 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -87.66 131.5 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.652 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -132.65 102.99 5.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.44 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.97 154.31 33.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.451 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.0 103.09 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -66.96 -10.64 51.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.45 -64.28 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.745 ' OE1' HG22 ' B' ' 20' ' ' VAL . 0.6 OUTLIER -57.11 -23.74 49.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.71 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 91.3 m -78.13 -37.3 46.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.531 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -52.4 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.454 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.2 -42.1 94.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.49 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -66.07 -25.76 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.499 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.58 -19.4 54.15 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -83.0 -52.98 6.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.749 0.309 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.82 -29.5 66.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.741 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 65.8 p -85.8 -42.81 13.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.7 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.51 -21.52 40.67 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.56 155.83 53.6 Favored Pre-proline 0 C--N 1.33 -0.248 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.44 163.08 21.8 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.175 1.916 . . . . 0.0 112.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' B' ' 56' ' ' VAL . 39.8 Cg_endo -68.99 -45.35 2.06 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.592 2.194 . . . . 0.0 112.218 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -43.92 -32.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.794 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -78.26 -36.26 47.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.639 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' B' ' 53' ' ' PRO . 19.2 t -73.22 -23.21 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -75.79 -54.66 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.45 -25.7 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.521 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 6.1 tmm? -76.57 -52.59 9.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.632 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.521 ' N ' ' SD ' ' B' ' 59' ' ' MET . 3.7 p -72.06 -17.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -74.28 -64.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.514 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.99 -48.34 16.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.452 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.54 ' HB1' ' HA2' ' B' ' 68' ' ' GLY . . . -46.27 -63.05 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.613 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -48.13 -20.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.641 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -82.76 -28.16 30.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -118.02 4.39 7.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 146.72 -101.16 0.23 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.54 ' HA2' ' HB1' ' B' ' 63' ' ' ALA . . . 153.05 74.44 0.01 OUTLIER Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.1 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.443 ' CD1' ' C ' ' B' ' 69' ' ' TRP . 7.9 t-105 -151.68 136.48 17.17 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -150.13 151.06 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.134 0.492 . . . . 0.0 111.299 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.439 ' OD2' ' NE1' ' B' ' 69' ' ' TRP . 2.2 m-20 -138.28 112.54 8.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.822 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.34 -20.84 56.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.669 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -6.25 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.663 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.15 16.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.474 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.4 HH21 ' CG ' ' B' ' 75' ' ' ARG . 5.3 mtt-85 41.24 87.89 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.758 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -144.1 125.17 14.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.602 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.28 97.61 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.673 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' LYS . . . . . 0.469 ' NZ ' ' OE2' ' A' ' 74' ' ' GLU . 6.8 tttt -102.18 171.75 7.31 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.135 0.493 . . . . 0.0 110.728 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.405 HG12 ' H ' ' B' ' 79' ' ' VAL . 0.2 OUTLIER -93.45 143.97 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.315 179.565 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.673 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.486 1.087 0 CA-C-O 120.814 0.256 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -99.61 150.1 22.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.6 mtp85 -137.35 126.85 25.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -79.49 137.99 37.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.621 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 22.0 tt0 -110.24 163.38 13.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.53 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -131.97 87.2 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.617 HG12 ' N ' ' A' ' 10' ' ' ARG . 67.5 t -70.67 165.1 2.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.617 ' N ' HG12 ' A' ' 9' ' ' VAL . 48.9 ttp180 -131.16 123.32 28.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.435 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -110.49 114.11 46.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -109.23 149.41 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.9 98.25 3.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 110.49 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.447 HG22 ' H ' ' A' ' 14' ' ' VAL . 9.2 m -83.18 149.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.522 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 m -140.33 142.59 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 50.76 -167.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.506 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.08 -174.14 36.81 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -84.21 169.94 14.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.618 0.247 . . . . 0.0 110.656 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -140.13 121.59 15.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t -105.01 133.57 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.69 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.58 140.73 38.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.639 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.34 162.55 27.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.584 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -132.03 97.36 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.59 137.56 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.574 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . . . -103.94 104.6 14.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.466 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -100.73 135.01 42.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p -99.4 -164.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -102.57 19.88 18.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -110.02 -25.43 10.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.743 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.27 38.11 3.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.09 150.63 49.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.71 ' O ' HG13 ' A' ' 32' ' ' VAL . 8.5 p -107.43 95.24 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.953 HG13 ' H ' ' A' ' 34' ' ' THR . 2.5 p -47.55 -98.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.364 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.953 ' H ' HG13 ' A' ' 33' ' ' VAL . 1.1 m -125.1 163.42 22.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.46 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -135.99 130.26 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.634 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -104.3 98.59 8.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.793 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.61 169.37 13.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.403 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -101.92 114.19 28.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.662 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 1.093 ' HD1' ' HD2' ' A' ' 43' ' ' ARG . 33.7 p90 -66.71 -26.73 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.48 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.64 -63.74 1.0 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.97 -44.74 91.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.667 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.8 m -62.04 -29.33 70.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 1.093 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 76.2 mtt180 -74.98 -46.2 36.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.548 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.07 -30.01 67.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -80.35 -20.2 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.473 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.32 -18.72 79.91 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -82.88 -55.94 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.425 . . . . 0.0 110.664 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -60.08 -10.36 4.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.616 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.0 p -101.98 -36.01 8.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.88 -24.2 32.87 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -87.79 156.18 52.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -66.75 162.36 37.76 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.385 2.057 . . . . 0.0 112.131 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.72 -20.2 35.31 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.639 2.226 . . . . 0.0 112.058 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -58.84 -54.61 45.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.759 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.13 -25.74 67.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.802 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.57 -41.09 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.54 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -63.64 -54.95 27.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.32 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.529 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.6 tmm? -76.93 -40.51 46.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.595 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.519 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 6.2 t -64.82 -64.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' N ' HG12 ' A' ' 60' ' ' VAL . 51.6 mt-10 -43.29 -56.01 3.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.93 -37.19 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.482 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 60' ' ' VAL . . . -60.51 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.463 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.82 -20.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' ALA . 17.9 ttp180 -76.04 -46.73 27.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.434 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.77 2.1 10.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.518 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.37 95.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.79 -173.74 36.12 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.522 ' CE2' ' OE1' ' B' ' 74' ' ' GLU . 10.0 p90 -101.91 165.87 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.577 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -138.84 134.5 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.744 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -105.47 113.05 26.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 74' ' ' GLU . 1.5 mp -62.98 -55.81 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -71.42 40.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.1 tm-20 -174.68 -12.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.461 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ASP . 16.4 ttm-85 41.88 66.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -139.18 126.14 21.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.612 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.39 102.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.497 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 79' ' ' VAL . 30.8 mmtt -104.76 117.65 34.6 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 80' ' ' GLN . 1.0 OUTLIER -49.32 -179.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.7 tt0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.586 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.732 ' O ' HG13 ' B' ' 2' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.466 0.332 0 N-CA-C 111.398 0.148 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -84.42 102.09 0.86 Allowed 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.344 2.029 . . . . 0.0 112.196 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.49 148.7 35.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.592 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -140.29 154.7 46.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -95.54 152.5 18.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 0.0 110.433 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' B' ' 8' ' ' ASP . 42.9 tt0 -137.38 158.8 43.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.609 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.413 ' N ' ' CG ' ' B' ' 7' ' ' GLU . 1.1 m-20 -124.24 108.9 12.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.486 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -90.4 135.92 25.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -94.14 133.59 37.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.617 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 t -126.39 98.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.489 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -103.5 168.89 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.634 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.51 126.88 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.534 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.35 123.43 37.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 135.56 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.43 -177.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.23 177.36 36.11 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -94.17 168.96 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.673 0.273 . . . . 0.0 110.555 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 152.46 41.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.9 t -135.8 135.56 50.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.85 135.0 33.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.62 124.72 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -100.21 133.82 44.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.584 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 pt -139.65 129.68 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.99 111.27 23.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -98.17 135.02 40.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 72.4 p -101.23 -64.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.79 20.64 2.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 53.92 61.52 3.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.34 -57.67 0.08 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -103.11 149.17 24.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.614 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.66 ' O ' HG13 ' B' ' 32' ' ' VAL . 8.8 p -107.57 109.6 28.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.649 HG13 ' N ' ' B' ' 34' ' ' THR . 8.8 p -42.46 -50.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.649 ' N ' HG13 ' B' ' 33' ' ' VAL . 6.7 m -151.2 150.3 30.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 31.8 t -104.61 141.41 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.478 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -132.8 81.84 1.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.54 160.53 28.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.417 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 1.7 mt-10 -80.59 117.21 21.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -72.09 -11.66 60.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.3 -64.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.965 0.412 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -45.92 91.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.494 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 60.0 m -52.57 -28.96 23.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.681 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -55.02 6.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.504 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' B' ' 47' ' ' GLU . 8.7 mm-40 -61.36 -50.73 71.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -47.21 -29.97 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.413 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.8 -28.53 68.79 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' B' ' 44' ' ' GLU . 16.5 tt0 -77.71 -42.31 34.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.626 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -67.27 -35.55 79.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 41.5 p -87.12 -44.4 11.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.509 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.52 28.14 7.69 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 39.4 mt -125.45 132.68 24.38 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -39.58 157.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.677 1.585 . . . . 0.0 111.745 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.76 -45.27 1.09 Allowed 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.283 1.988 . . . . 0.0 112.189 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -46.5 -49.83 17.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.07 -59.03 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 t -56.64 -58.86 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -46.59 -34.92 5.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.568 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.72 -33.63 64.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.733 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -74.64 -47.54 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.617 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 12.9 t -51.58 -65.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -43.47 -51.98 6.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.339 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.11 -31.01 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.382 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -66.0 -61.69 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.521 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.74 -23.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.512 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' B' ' 63' ' ' ALA . 0.0 OUTLIER -75.57 -43.71 47.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.499 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -102.1 0.31 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.638 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 41.34 94.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.88 -172.25 40.49 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.49 160.18 14.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.731 0.301 . . . . 0.0 110.549 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.733 HG21 ' SD ' ' B' ' 59' ' ' MET . 29.4 t -125.1 151.11 30.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.415 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 2.7 m-20 -121.81 115.82 23.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.449 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -74.37 -58.01 3.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.651 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 47.8 mmtt -75.04 31.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.475 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.522 ' OE1' ' CE2' ' A' ' 69' ' ' TRP . 1.8 tm-20 -162.25 -12.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.567 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 42.06 70.66 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.644 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -137.84 157.62 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.583 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 9.9 mt -138.29 118.54 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.444 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 141.13 48.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.488 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.3 175.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.545 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.528 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo . . . . . 0 N--CA 1.489 1.228 0 CA-C-O 120.802 0.251 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.19 166.46 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.715 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.84 138.15 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.483 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -80.56 144.88 32.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.806 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -136.17 145.21 45.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -110.47 123.93 50.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.636 HG12 ' N ' ' A' ' 10' ' ' ARG . 60.9 t -104.04 166.61 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.479 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.636 ' N ' HG12 ' A' ' 9' ' ' VAL . 4.1 ttm180 -137.25 124.8 22.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.609 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -112.17 115.3 49.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.33 96.24 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.667 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -110.62 97.14 6.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.559 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.41 ' H ' ' HB3' ' B' ' 73' ' ' LYS . 55.5 t -138.37 134.19 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.636 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.627 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 1.6 m -139.77 106.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.526 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 165.16 155.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.89 177.0 32.59 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -90.37 -177.86 5.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 110.54 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.63 131.61 33.92 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.6 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.513 HG13 ' CD ' ' A' ' 41' ' ' GLU . 60.8 t -99.58 158.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.474 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.506 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -110.04 110.09 20.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.608 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.7 t -117.73 145.94 22.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.557 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -117.4 126.93 53.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.495 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.418 HD11 ' HB1' ' A' ' 64' ' ' ALA . 2.4 mt -131.56 126.24 57.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.62 109.51 21.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.622 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.67 147.29 26.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.4 p -93.56 -165.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.566 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 28' ' ' GLU . 3.5 mp0 -82.33 -22.71 35.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.53 -15.4 57.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.537 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.47 24.11 24.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -104.4 157.25 17.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 32' ' ' VAL . 6.8 p -107.36 89.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.437 ' H ' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -43.26 -58.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.663 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 m -151.22 143.38 24.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.475 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -114.5 136.21 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.41 150.29 50.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.463 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.0 141.73 46.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.478 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 116.13 2.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.665 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CZ ' ' OD2' ' A' ' 40' ' ' ASP . 34.0 p90 -72.72 -26.59 61.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.59 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.602 ' OD2' ' CZ ' ' A' ' 39' ' ' PHE . 1.5 m-20 -67.7 -64.5 0.85 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.756 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.513 ' CD ' HG13 ' A' ' 20' ' ' VAL . 1.8 pp20? -53.51 -28.26 30.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.61 -36.41 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.636 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.426 ' O ' ' OE2' ' A' ' 47' ' ' GLU . 1.2 mtp85 -72.27 -48.11 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.502 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.97 -42.42 99.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.26 -29.05 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.378 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -65.23 -29.94 76.56 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' A' ' 43' ' ' ARG . 2.3 mp0 -72.72 -37.64 67.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.699 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -76.52 -32.83 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -89.47 -49.65 6.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.607 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . 100.78 31.9 5.56 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.2 mt -125.51 132.59 24.35 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.469 ' O ' HG23 ' A' ' 56' ' ' VAL . 87.6 Cg_exo -39.2 157.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.85 1.7 . . . . 0.0 111.822 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.23 -48.41 0.63 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.145 1.897 . . . . 0.0 112.129 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -51.74 -47.31 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.539 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.69 -41.36 99.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.656 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 52' ' ' PRO . 79.4 t -70.87 -25.08 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.405 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -77.21 -31.45 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.616 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.78 -22.07 34.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.598 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 59' ' ' MET . 8.5 tmm? -77.84 -48.49 16.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.43 HG23 HG11 ' B' ' 9' ' ' VAL . 5.6 p -74.97 -28.88 21.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.438 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.9 tm-20 -62.21 -64.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.438 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -48.7 -43.49 37.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.361 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -54.32 -46.25 72.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.692 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.418 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -60.89 -20.13 61.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.563 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.84 -37.83 34.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.833 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.79 -9.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 159.36 -96.28 0.15 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.455 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 147.87 76.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.918 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.531 ' CZ2' ' OD1' ' A' ' 71' ' ' ASP . 83.6 t90 -152.88 135.51 15.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.436 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 79.4 t -155.65 149.17 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.092 0.472 . . . . 0.0 111.4 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.531 ' OD1' ' CZ2' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -145.41 111.75 5.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.551 178.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' GLU . 8.7 mp -66.45 -7.57 20.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.181 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -27.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.329 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -173.67 33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.315 179.737 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 57.24 85.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.55 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -135.53 146.53 48.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.6 mt -136.87 120.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -142.03 -171.91 3.46 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -104.54 143.73 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.46 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.65 ' O ' HG13 ' B' ' 2' ' ' VAL . 7.2 p . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 120.637 0.256 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -51.62 139.81 47.0 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.573 2.182 . . . . 0.0 111.996 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.19 138.57 38.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.526 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -143.28 142.52 31.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -93.76 153.84 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.646 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -130.21 136.24 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.452 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.15 120.8 39.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.517 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.43 HG11 HG23 ' A' ' 60' ' ' VAL . 60.7 t -101.66 120.03 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.704 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -84.51 128.23 34.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.377 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -127.07 126.75 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.674 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.37 176.69 8.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -168.41 93.45 0.34 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.992 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.632 ' O ' HG13 ' B' ' 14' ' ' VAL . 12.0 p -155.27 115.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 t -91.42 119.22 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.685 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -178.78 173.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.53 157.98 9.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 29.8 m95 -91.53 -176.27 4.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.29 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -145.48 144.91 30.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 t -139.34 144.24 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.492 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.86 149.33 23.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.427 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.83 140.27 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.626 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -115.68 97.47 6.15 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.492 HG22 ' HB ' ' B' ' 35' ' ' VAL . 2.1 pp -106.63 128.35 61.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.744 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.555 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -100.84 138.34 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.623 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -132.86 140.75 48.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.73 -161.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.412 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -100.92 22.14 12.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.671 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -110.83 -21.42 12.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.798 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.02 6.38 45.75 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.63 160.8 14.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.51 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 88.3 t -107.54 111.99 38.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.562 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.914 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -56.78 -97.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.914 ' H ' HG13 ' B' ' 33' ' ' VAL . 5.0 m -143.76 118.05 9.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.811 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.492 ' HB ' HG22 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -95.19 143.75 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -132.69 94.55 3.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.514 ' HB3' ' HG3' ' B' ' 57' ' ' LYS . . . -64.77 142.0 58.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.649 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.64 119.58 2.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.456 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.801 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 39.7 p90 -72.56 -20.11 61.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.801 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 53.3 m-20 -71.57 -64.56 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.458 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -54.63 -44.45 73.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 23.3 m -61.26 -38.89 88.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' B' ' 39' ' ' PHE . 13.3 mmt85 -68.44 -50.85 49.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.66 -31.96 72.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.504 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' B' ' 48' ' ' GLU . 1.3 mm -76.24 -33.57 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.81 -24.45 1.89 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -76.67 -34.57 58.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 110.561 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 45' ' ' ILE . 7.1 mm-40 -72.61 -26.43 61.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -88.54 -49.05 7.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.685 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.4 -12.66 56.95 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -99.74 156.48 35.3 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -38.51 157.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.44 2.093 . . . . 0.0 111.85 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -71.21 -53.0 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.348 2.032 . . . . 0.0 112.098 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -43.95 -44.75 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -48.81 -57.89 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 59' ' ' MET . 51.1 t -60.25 -48.68 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.646 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.514 ' HG3' ' HB3' ' B' ' 37' ' ' ALA . 23.6 tttp -46.12 -42.22 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.724 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.88 -23.97 58.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.636 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.641 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -77.04 -63.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.13 -28.14 10.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -68.73 -49.19 60.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.477 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.76 -31.46 38.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -62.56 -61.76 2.21 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.449 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.84 -27.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -68.22 -44.28 76.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.596 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.54 -1.44 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.789 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 50.21 98.2 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.22 -148.35 6.5 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -134.43 171.23 14.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.745 0.307 . . . . 0.0 110.692 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.641 HG21 ' SD ' ' B' ' 59' ' ' MET . 42.1 t -132.2 155.35 41.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.729 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.52 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.0 OUTLIER -136.6 112.78 9.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.423 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -80.68 -20.36 43.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 14' ' ' VAL . 19.2 pttt -48.74 -30.77 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.617 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -156.47 30.97 0.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 42.88 87.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -138.43 153.54 48.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 9.1 mt -140.39 131.9 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.648 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -141.47 169.08 18.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.45 -162.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.572 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.484 0.959 0 CA-C-O 120.792 0.247 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -91.74 151.16 20.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.386 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -162.11 148.39 13.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -77.52 146.32 36.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.629 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -110.57 138.6 46.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.507 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.83 99.5 8.63 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.607 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.5 t -79.44 112.2 17.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.614 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.611 HH11 HG11 ' A' ' 12' ' ' VAL . 2.2 ttp-105 -76.82 123.52 26.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.605 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -115.66 108.44 25.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.147 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 12' ' ' VAL . 26.7 m -101.16 96.06 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.897 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.664 ' OE1' HD22 ' B' ' 72' ' ' LEU . 2.5 mt-30 -111.28 94.98 5.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.173 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.5 m -151.87 150.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.666 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -134.31 106.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 175.91 149.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.511 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.26 -156.6 21.56 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -82.9 -175.44 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.687 0.279 . . . . 0.0 110.576 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -147.72 144.19 28.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.32 143.72 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.474 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.51 132.93 35.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 t -142.89 129.91 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.649 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -94.16 141.52 28.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.693 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 mt -145.12 130.24 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -100.53 101.79 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.23 143.7 39.99 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.559 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -100.78 -137.71 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.589 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -100.67 -27.79 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.481 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 0.8 OUTLIER -78.22 16.72 0.72 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.504 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.65 33.89 42.51 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.92 141.61 33.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.706 0.289 . . . . 0.0 110.497 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.2 p -107.5 105.76 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.944 HG13 ' H ' ' A' ' 34' ' ' THR . 2.5 p -61.0 -95.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.944 ' H ' HG13 ' A' ' 33' ' ' VAL . 59.8 p -120.88 132.6 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.584 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.55 139.68 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 143.0 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.3 142.03 41.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.38 116.49 4.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.658 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -67.71 -9.2 41.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.19 -64.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.464 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.77 -29.61 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.455 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -37.5 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.749 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.414 ' O ' ' OE1' ' A' ' 47' ' ' GLU . 58.3 mtt-85 -74.77 -56.66 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -51.71 -25.96 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.57 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -75.61 -35.83 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.595 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -58.68 -18.69 39.44 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -78.37 -32.79 49.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.828 0.347 . . . . 0.0 110.66 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 2.5 mp0 -77.46 -30.75 53.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.3 p -93.68 -50.18 5.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.87 33.69 7.69 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.717 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.38 155.19 72.04 Favored Pre-proline 0 N--CA 1.463 0.193 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -35.78 100.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.278 0 C-N-CA 122.773 2.315 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -49.54 -21.12 4.81 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.181 1.921 . . . . 0.0 112.071 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -65.53 -51.2 61.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.13 -39.87 87.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.401 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.08 -45.35 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -60.6 -42.22 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.478 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.37 -19.89 60.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.5 tmm? -82.33 -56.23 4.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.565 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.553 HG23 HG11 ' B' ' 9' ' ' VAL . 2.2 p -64.81 -13.71 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -81.85 -49.62 10.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.2 -47.73 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.17 -63.14 1.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.61 -24.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.479 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 63' ' ' ALA . 3.6 ttp180 -69.7 -46.83 65.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.42 14.4 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 52.23 100.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.0 167.33 39.71 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -101.11 174.38 6.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.433 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 t -140.5 134.14 33.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.819 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 75' ' ' ARG . 5.8 m-20 -107.99 113.07 25.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.29 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.52 HD22 ' HG2' ' B' ' 13' ' ' GLN . 4.8 mp -70.45 -42.44 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -73.09 14.91 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.702 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.6 tt0 -152.03 -11.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.526 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' ASP . 6.8 mmt180 43.27 53.89 5.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.467 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -136.46 138.16 41.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.506 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.55 145.81 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 148.49 38.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.611 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.02 141.14 15.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.546 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.62 HG22 ' O ' ' B' ' 2' ' ' VAL . 2.0 p . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 121.146 0.498 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.64 124.22 3.5 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.684 2.256 . . . . 0.0 112.279 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -94.83 143.9 26.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.451 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -150.71 142.4 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -97.27 152.45 18.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -110.32 159.69 17.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.88 84.99 2.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.617 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.553 HG11 HG23 ' A' ' 60' ' ' VAL . 62.0 t -65.35 120.77 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.364 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.4 ' HB3' HH21 ' B' ' 10' ' ' ARG . 10.5 ttm105 -98.78 123.41 43.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -105.55 102.06 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.369 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 12' ' ' VAL . 21.8 m -92.33 106.6 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.708 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.52 ' HG2' HD22 ' A' ' 72' ' ' LEU . 1.9 mp0 -118.48 95.02 4.69 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.284 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.71 155.34 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.705 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 1.5 p -140.3 104.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.636 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.633 ' O ' HG12 ' A' ' 12' ' ' VAL . . . 173.14 153.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.01 -162.91 27.78 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -90.65 -168.35 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.292 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -137.28 136.17 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.699 HG13 ' OE2' ' B' ' 41' ' ' GLU . 95.6 t -106.73 153.6 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.413 ' N ' HG12 ' B' ' 20' ' ' VAL . 13.7 t -102.52 116.63 33.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.644 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.444 HG12 ' N ' ' B' ' 23' ' ' LYS . 60.8 t -134.17 155.68 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.444 ' N ' HG12 ' B' ' 22' ' ' VAL . 52.8 tttt -123.78 127.45 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.668 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.53 HD11 ' HB1' ' B' ' 64' ' ' ALA . 2.6 mt -136.01 126.36 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.365 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.91 152.0 21.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.654 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -133.5 160.5 37.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.541 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.21 144.6 42.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.653 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -89.68 26.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.23 13.99 24.07 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.378 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.36 26.24 55.21 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -139.57 137.13 35.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.686 0.279 . . . . 0.0 110.511 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 32' ' ' VAL . 6.3 m -107.63 127.59 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.514 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.994 HG12 ' H ' ' B' ' 34' ' ' THR . 9.6 t -63.22 -163.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.857 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.994 ' H ' HG12 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -112.81 163.51 14.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.969 0.414 . . . . 0.0 110.994 -179.417 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.76 143.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.534 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -131.4 89.65 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.39 160.35 29.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.635 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.79 124.01 30.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.715 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.833 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 40.5 p90 -67.91 -16.48 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.73 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.833 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 16.8 m-20 -76.54 -64.14 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.639 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.699 ' OE2' HG13 ' B' ' 20' ' ' VAL . 1.3 pp20? -55.35 -25.58 35.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.465 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 55.8 m -75.77 -31.23 59.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.457 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -81.38 -40.27 23.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -70.23 -38.61 75.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.4 mm -65.39 -24.96 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.86 -50.65 10.56 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -47.62 -23.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.492 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -79.09 -40.88 30.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.627 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.491 ' CG2' HE22 ' A' ' 13' ' ' GLN . 62.1 p -86.55 -50.03 7.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.46 33.69 5.56 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.502 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.419 ' CD1' ' NH1' ' B' ' 75' ' ' ARG . 0.7 OUTLIER -123.97 155.98 66.45 Favored Pre-proline 0 C--N 1.331 -0.202 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -35.0 99.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.893 2.395 . . . . 0.0 112.423 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -49.93 -19.9 4.39 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.228 1.952 . . . . 0.0 111.993 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -69.5 -54.57 13.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.583 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.24 -25.65 61.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -68.54 -39.47 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.591 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -65.08 -35.63 81.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.716 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.09 -11.77 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.471 ' SD ' HG21 ' B' ' 70' ' ' VAL . 11.0 tmm? -82.76 -47.77 11.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 p -75.87 -25.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -69.94 -51.33 33.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.81 -53.39 55.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.5 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -53.55 -60.54 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.536 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.53 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -43.43 -29.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.477 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -66.6 -42.47 86.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.357 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -103.29 -0.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.665 179.746 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 58.79 96.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.83 177.16 37.34 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.7 OUTLIER -101.17 174.1 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.374 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.471 HG21 ' SD ' ' B' ' 59' ' ' MET . 12.0 t -138.06 143.52 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.933 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.0 OUTLIER -132.93 113.07 12.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.045 179.417 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.664 HD22 ' OE1' ' A' ' 13' ' ' GLN . 1.5 mp -78.45 -31.67 48.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.616 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -63.11 -5.24 2.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.486 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' B' ' 76' ' ' GLU . 1.6 tt0 -148.28 -4.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.546 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' B' ' 71' ' ' ASP . 7.8 mmt180 52.01 62.26 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.48 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 74' ' ' GLU . 0.4 OUTLIER -127.88 169.23 14.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.445 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.519 ' O ' HG22 ' B' ' 77' ' ' ILE . 21.4 mt -131.01 85.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 69' ' ' TRP . 0.2 OUTLIER -64.83 132.72 50.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.691 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 6.3 p -101.69 143.1 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.438 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.429 ' CG ' ' HE1' ' B' ' 69' ' ' TRP . 37.7 mt-30 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo . . . . . 0 N--CA 1.488 1.171 0 CA-C-O 120.919 0.3 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -178.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -166.41 133.51 2.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -96.41 148.83 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.35 162.75 14.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.86 96.96 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.618 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.9 t -87.95 121.42 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -89.65 123.33 33.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 t -105.99 114.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.261 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.487 HG12 ' C ' ' B' ' 16' ' ' ALA . 15.0 m -98.13 134.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.29 95.13 3.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.002 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -112.43 151.74 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 p -105.58 144.9 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.458 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -38.73 141.6 0.26 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.26 -91.88 1.39 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 19' ' ' ARG . 40.2 t-105 -96.55 162.61 13.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.701 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 3.4 mtt180 -150.57 135.84 17.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 21' ' ' SER . 47.6 t -95.4 157.7 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.471 ' N ' HG12 ' A' ' 20' ' ' VAL . 22.9 t -105.15 132.29 51.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.7 t -142.99 139.25 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.2 106.92 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.512 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.7 mt -107.81 135.56 46.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.84 99.15 8.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.493 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -100.44 137.61 38.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.465 ' OG1' ' N ' ' A' ' 28' ' ' GLU . 30.4 p -100.97 -66.66 0.9 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.477 ' C ' ' H ' ' A' ' 30' ' ' GLY . 4.3 mm-40 -87.12 21.7 2.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 59.4 2.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -136.77 18.84 3.56 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -139.48 146.57 40.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 110.443 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.2 p -130.65 89.21 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.406 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.679 HG23 ' N ' ' A' ' 34' ' ' THR . 34.9 m -51.18 -56.02 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.114 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.679 ' N ' HG23 ' A' ' 33' ' ' VAL . 59.5 p -147.38 163.62 35.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.38 145.15 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.48 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -132.64 116.52 16.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.691 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.46 158.18 15.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.93 127.54 33.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.635 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.866 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 32.3 p90 -78.56 -25.68 45.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.741 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.866 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.89 -64.43 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -53.63 -38.44 64.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.1 m -70.85 -25.03 62.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 39' ' ' PHE . 14.0 mmm-85 -81.63 -31.17 32.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.96 -38.1 23.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.668 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.501 HD11 HG11 ' B' ' 11' ' ' VAL . 0.8 OUTLIER -64.27 -25.13 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.498 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.9 -22.99 74.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -82.84 -31.08 28.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 1.1 mm-40 -84.09 -24.69 30.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.556 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -98.38 -47.8 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.64 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.38 32.04 5.03 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mt -125.38 125.61 25.12 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.769 ' O ' HG23 ' A' ' 56' ' ' VAL . 84.0 Cg_exo -40.55 156.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.77 1.647 . . . . 0.0 111.735 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.28 -41.6 6.71 Favored 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 122.379 2.053 . . . . 0.0 112.341 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.2 mmm-85 -53.82 -56.64 15.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.356 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.98 -40.57 85.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 52' ' ' PRO . 93.2 t -62.15 -57.24 12.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -45.86 -43.16 13.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.71 84.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 59' ' ' MET . 4.4 tmm? -71.09 -48.94 49.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.465 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.435 ' N ' ' SD ' ' A' ' 59' ' ' MET . 97.8 t -71.99 -23.0 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -75.04 -60.59 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.88 -48.16 8.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.385 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' VAL . . . -52.52 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.692 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.73 -20.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' ALA . 31.0 ttp85 -80.83 -36.11 31.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.7 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -107.73 -2.83 10.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 155.51 -96.04 0.15 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 149.66 77.03 0.02 OUTLIER Glycine 0 CA--C 1.527 0.837 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.496 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.493 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 5.7 t-105 -159.69 136.35 9.2 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.625 HG12 ' N ' ' A' ' 71' ' ' ASP . 57.0 t -148.11 164.88 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 0.0 111.467 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.625 ' N ' HG12 ' A' ' 70' ' ' VAL . 35.3 m-20 -143.38 113.07 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.415 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 74' ' ' GLU . 5.9 mp -75.01 -62.67 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.53 -178.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -60.2 1.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.231 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 72' ' ' LEU . 8.3 mm-40 -131.38 -7.71 3.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.487 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 mmm-85 43.57 68.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.528 ' OE2' ' NZ ' ' A' ' 78' ' ' LYS . 7.2 mm-40 -145.79 124.36 12.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.603 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.7 mt -103.86 125.89 58.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.378 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.528 ' NZ ' ' OE2' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -147.4 -166.56 2.55 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.79 143.59 20.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.359 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.57 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.58 0.229 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -84.15 130.87 4.88 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.89 2.393 . . . . 0.0 112.244 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 54.2 p -108.97 150.99 26.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -155.76 148.37 23.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.482 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -86.33 141.77 28.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.732 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -110.32 137.83 47.51 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.466 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.96 101.9 12.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.67 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.05 112.73 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -67.62 137.26 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.501 HG11 HD11 ' A' ' 45' ' ' ILE . 54.2 t -140.34 91.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.454 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 m -112.12 151.44 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.59 98.2 3.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.085 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.425 ' O ' ' OE2' ' A' ' 74' ' ' GLU . 80.5 t -152.09 153.12 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.878 0.37 . . . . 0.0 110.697 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.541 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 2.5 p -140.3 142.08 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' B' ' 15' ' ' VAL . . . 72.11 -177.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.11 -63.49 0.12 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.81 -169.96 2.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.785 0.326 . . . . 0.0 110.515 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -144.1 124.98 14.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.611 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -116.75 119.43 61.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.479 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -81.99 152.47 26.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.668 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -137.86 164.24 28.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.55 110.24 9.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 mt -138.25 125.93 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.44 101.7 13.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -92.19 145.8 24.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p -100.11 -142.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 30' ' ' GLY . 9.0 mt-10 -100.68 -57.82 2.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.643 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -41.48 -22.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.739 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 28' ' ' GLU . . . 91.04 56.56 1.7 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -136.9 161.03 37.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.65 0.262 . . . . 0.0 110.631 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.712 ' O ' HG13 ' B' ' 32' ' ' VAL . 8.0 p -107.4 93.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.556 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.457 HG22 ' H ' ' B' ' 33' ' ' VAL . 0.0 OUTLIER -48.2 -57.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 -179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.05 163.15 39.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.602 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.71 126.08 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.461 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -132.57 94.57 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.614 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.47 146.15 36.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 1.6 tt0 -54.21 108.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.328 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 1.296 ' CD1' ' NH1' ' B' ' 43' ' ' ARG . 40.0 p90 -69.83 -18.71 63.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.733 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.18 -64.35 0.93 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.7 -23.75 44.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.662 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 99.9 m -77.85 -28.79 50.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 1.296 ' NH1' ' CD1' ' B' ' 39' ' ' PHE . 6.8 mtm180 -81.74 -29.64 32.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.406 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.422 ' O ' ' OE2' ' B' ' 48' ' ' GLU . 2.5 tt0 -81.46 -47.45 13.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.689 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -56.0 -20.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.33 -18.9 70.37 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -85.0 -20.31 30.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.602 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' B' ' 44' ' ' GLU . 0.4 OUTLIER -73.43 -41.79 62.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.667 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.87 HG21 HD22 ' B' ' 72' ' ' LEU . 1.5 m -92.31 -34.39 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.777 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.67 33.42 5.06 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 pt -122.53 148.34 52.67 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -59.42 163.67 12.25 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.883 1.722 . . . . 0.0 112.139 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' B' ' 56' ' ' VAL . 55.3 Cg_endo -71.66 -48.21 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.725 2.283 . . . . 0.0 112.389 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -43.71 -27.68 0.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' B' ' 75' ' ' ARG . 22.1 mm-40 -75.65 -33.7 60.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.688 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 53' ' ' PRO . 15.7 t -80.32 -58.33 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.498 ' NZ ' ' OE2' ' B' ' 61' ' ' GLU . 23.5 tttp -45.88 -41.78 11.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.02 -39.53 83.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.786 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -73.8 -61.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 16.9 t -41.33 -70.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.498 ' OE2' ' NZ ' ' B' ' 57' ' ' LYS . 33.7 mt-10 -43.46 -58.96 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.797 0.332 . . . . 0.0 110.535 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.78 -35.7 1.99 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.338 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' B' ' 60' ' ' VAL . . . -69.6 -59.95 2.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.583 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.39 -20.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' B' ' 63' ' ' ALA . 10.5 ttp85 -80.14 -47.3 14.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.786 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -98.7 1.16 10.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.692 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 48.08 99.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.13 175.6 42.85 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 5.6 m0 -100.95 162.66 12.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.69 0.281 . . . . 0.0 110.539 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.79 133.96 63.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.7 OUTLIER -102.1 112.93 25.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.18 179.483 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.87 HD22 HG21 ' B' ' 49' ' ' THR . 3.2 mt -74.85 -30.82 61.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -0.53 2.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.819 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -163.4 11.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' B' ' 71' ' ' ASP . 74.5 mtp180 40.83 46.4 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -107.3 179.09 4.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.09 157.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.627 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.55 146.41 28.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 3.9 t -84.63 140.16 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.572 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.616 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo . . . . . 0 N--CA 1.494 1.509 0 CA-C-O 120.881 0.284 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.91 150.82 30.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.618 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -153.78 151.78 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -102.63 153.59 19.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.94 130.51 48.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.69 97.98 8.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.649 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 t -75.04 117.57 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.436 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -97.81 123.25 41.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.52 101.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.589 ' O ' HG23 ' A' ' 12' ' ' VAL . 34.0 m -91.65 111.9 24.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.459 ' OE1' HG22 ' B' ' 49' ' ' THR . 12.9 mt-30 -107.25 94.5 5.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.164 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.42 153.56 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.718 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.664 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 2.0 p -139.41 116.5 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.564 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 163.39 172.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.541 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.11 176.97 39.0 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -98.78 -176.68 3.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.821 0.343 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -144.49 118.08 9.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.9 t -103.64 147.79 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.458 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.36 140.26 38.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.593 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 36' ' ' LYS . 96.3 t -142.94 145.17 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.488 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -107.07 134.96 49.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.559 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.617 HD11 ' HB1' ' A' ' 64' ' ' ALA . 5.9 mt -139.31 134.51 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.06 100.54 9.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.661 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -105.89 139.1 40.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.5 p -100.67 -97.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.474 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 5.0 mt-10 -61.67 -5.04 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 28' ' ' GLU . 9.6 tt0 78.43 -6.82 1.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.96 -18.83 21.28 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -139.54 141.48 37.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.726 0.298 . . . . 0.0 110.64 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.613 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.2 p -108.07 113.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.707 HG13 ' H ' ' A' ' 34' ' ' THR . 7.5 p -52.62 -59.28 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.707 ' H ' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -151.14 163.64 38.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.649 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.93 150.07 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.416 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' O ' HG13 ' A' ' 22' ' ' VAL . 1.5 ttmm -132.63 174.79 9.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.444 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.37 121.17 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.474 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -52.34 118.07 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -76.77 -9.65 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.725 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -64.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG3' ' H ' ' A' ' 41' ' ' GLU . 16.8 mt-10 -58.65 -39.06 79.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.582 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.0 m -61.16 -32.74 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -80.29 -55.86 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.501 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -24.46 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.3 mm -76.48 -34.12 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.81 -27.54 13.54 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -74.62 -23.46 58.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 0.0 110.548 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -86.85 -32.65 20.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.617 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -88.06 -49.69 6.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.461 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.47 -16.11 55.36 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.637 ' CD1' HH22 ' A' ' 75' ' ' ARG . 0.6 OUTLIER -89.68 156.46 47.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.467 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -38.81 157.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.466 2.111 . . . . 0.0 111.929 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.33 -49.44 0.29 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.288 1.992 . . . . 0.0 111.963 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -45.7 -54.63 7.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.39 -35.11 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.587 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.65 -34.22 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HZ3' ' CB ' ' A' ' 57' ' ' LYS . 6.6 ttpm? -71.3 -48.65 49.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.501 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.09 68.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 60' ' ' VAL . 9.3 tmm? -75.86 -57.17 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.409 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.473 ' N ' ' SD ' ' A' ' 59' ' ' MET . 1.4 p -61.52 -14.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -77.66 -53.57 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.43 -36.8 34.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.394 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -62.76 -62.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.617 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -43.52 -21.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.616 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -75.0 -47.55 28.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.5 2.23 10.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.747 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 46.4 98.16 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.35 -142.34 3.37 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.467 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -138.85 174.04 10.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.564 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -149.74 150.21 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.796 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -126.58 112.74 15.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.046 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.83 -21.64 65.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -39.12 0.52 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CD ' ' HE1' ' B' ' 69' ' ' TRP . 5.4 mt-10 -152.35 16.59 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.536 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.637 HH22 ' CD1' ' A' ' 51' ' ' ILE . 12.9 tpp180 60.1 83.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.549 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -134.62 125.81 27.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.631 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt -111.03 125.8 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.656 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -142.3 -174.95 4.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 80' ' ' GLN . 11.9 p -100.77 -42.45 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.523 ' N ' HG13 ' A' ' 79' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.691 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.567 ' O ' HG13 ' B' ' 2' ' ' VAL . 4.5 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.605 0.24 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.48 161.56 14.8 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.78 2.32 . . . . 0.0 112.126 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 53.6 p -133.57 151.17 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.624 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.536 HH11 ' CD ' ' B' ' 7' ' ' GLU . 6.0 ptm180 -153.14 138.02 17.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.527 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.421 ' CD1' ' OD2' ' B' ' 8' ' ' ASP . 49.7 p90 -79.34 146.48 32.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.536 ' CD ' HH11 ' B' ' 5' ' ' ARG . 3.7 tp10 -110.24 128.22 55.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.568 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.421 ' OD2' ' CD1' ' B' ' 6' ' ' PHE . 40.9 m-20 -99.28 101.07 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.618 HG12 ' N ' ' B' ' 10' ' ' ARG . 61.1 t -85.02 165.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.618 ' N ' HG12 ' B' ' 9' ' ' VAL . 24.0 ttm-85 -135.89 135.38 39.67 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.504 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.36 98.35 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.3 m -93.39 150.02 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.615 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -148.6 94.67 2.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.255 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.567 HG21 HG21 ' A' ' 12' ' ' VAL . 32.6 m -82.91 155.56 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.699 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -113.0 144.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.523 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.93 152.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.519 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.42 -109.36 0.83 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -77.55 167.07 22.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.867 0.365 . . . . 0.0 110.447 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -142.01 138.59 31.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.583 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -118.96 130.51 73.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.567 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.15 138.23 33.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.703 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.432 HG12 ' N ' ' B' ' 23' ' ' LYS . 96.4 t -140.46 153.96 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.432 ' N ' HG12 ' B' ' 22' ' ' VAL . 72.5 tttt -134.42 97.32 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.484 ' CG2' HG13 ' B' ' 35' ' ' VAL . 5.0 pt -108.43 134.81 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.39 111.53 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.616 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.18 136.04 41.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.475 ' C ' ' H ' ' B' ' 29' ' ' GLU . 40.9 p -100.3 -76.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.531 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -73.89 19.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.646 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' B' ' 27' ' ' THR . 4.9 mt-10 58.48 21.58 8.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.513 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.42 -41.74 0.05 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.7 142.86 32.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 110.714 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.643 ' O ' HG13 ' B' ' 32' ' ' VAL . 11.2 p -107.49 113.15 42.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.545 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.464 ' H ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -48.84 -57.92 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.667 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -151.32 147.73 27.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.572 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.484 HG13 ' CG2' ' B' ' 24' ' ' ILE . 5.6 t -102.92 141.45 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.669 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -132.75 82.3 1.99 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.716 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.7 151.11 34.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.517 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.8 119.94 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 1.057 ' CD1' ' NH2' ' B' ' 43' ' ' ARG . 23.7 p90 -78.11 -38.15 44.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.657 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.605 ' OD2' ' CZ ' ' B' ' 39' ' ' PHE . 1.2 m-20 -45.4 -60.23 2.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.92 -59.1 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.644 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 m -48.91 -26.59 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 1.057 ' NH2' ' CD1' ' B' ' 39' ' ' PHE . 82.8 mtt180 -81.96 -34.17 29.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.09 -25.97 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.856 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -26.46 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.902 0.382 . . . . 0.0 110.782 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.5 -18.79 66.08 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -87.77 -20.13 26.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -95.82 1.32 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.459 HG22 ' OE1' ' A' ' 13' ' ' GLN . 81.8 p -132.2 -25.29 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.07 -27.08 19.95 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.522 HG13 HD11 ' B' ' 72' ' ' LEU . 8.6 mm -60.62 133.03 91.43 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -68.95 154.24 71.18 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.428 1.418 . . . . 0.0 112.2 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -43.03 -62.64 0.41 Allowed 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.719 2.279 . . . . 0.0 113.273 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -43.14 -57.71 2.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.744 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -51.03 -56.1 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.841 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.29 -56.7 14.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.615 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' B' ' 61' ' ' GLU . 28.3 ttpt -45.93 -42.78 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -59.19 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.404 ' O ' ' HB3' ' B' ' 62' ' ' ALA . 54.5 tpp -54.21 -44.26 71.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.732 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.458 HG12 ' N ' ' B' ' 61' ' ' GLU . 4.8 t -56.12 -67.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.489 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.458 ' N ' HG12 ' B' ' 60' ' ' VAL . 12.0 mt-10 -43.32 -47.81 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.268 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 59' ' ' MET . . . -44.29 -38.94 4.18 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.243 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -64.2 -56.45 14.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.244 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.71 -20.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' B' ' 63' ' ' ALA . 1.5 ttt85 -80.69 -47.32 14.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -100.76 3.96 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.768 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 40.81 94.09 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.49 -169.4 34.34 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 1.7 p-90 -105.62 174.41 5.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 110.334 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 71.4 t -145.39 134.97 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' B' ' 75' ' ' ARG . 52.7 t0 -110.26 112.98 25.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.907 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.522 HD11 HG13 ' B' ' 51' ' ' ILE . 0.5 OUTLIER -76.34 -43.4 41.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.052 -179.689 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -6.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.572 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.456 ' H ' ' C ' ' B' ' 72' ' ' LEU . 41.0 mt-10 -139.26 -12.45 1.2 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.476 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' B' ' 71' ' ' ASP . 3.3 ttt85 57.11 70.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -146.17 151.87 38.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.58 125.36 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -127.64 144.99 51.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.68 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.415 ' O ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -67.81 -176.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.591 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.506 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.485 1.018 0 CA-C-O 120.839 0.266 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.3 p -103.14 138.13 40.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.433 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -108.19 143.45 36.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -103.44 136.62 42.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.585 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 29.0 tt0 -118.03 162.86 17.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.358 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 0.4 OUTLIER -130.57 113.9 14.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.4 t -100.92 130.29 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -92.63 123.17 35.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.03 101.02 8.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.7 m -81.35 142.94 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -147.63 95.22 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.254 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.13 136.06 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.74 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.64 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.9 p -140.35 114.71 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.707 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 165.63 153.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.38 -166.41 39.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -90.18 -177.08 5.05 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.802 0.334 . . . . 0.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' CZ ' ' NH1' ' B' ' 10' ' ' ARG . 57.6 mtt-85 -135.37 150.06 49.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.491 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.878 HG22 ' OE1' ' A' ' 41' ' ' GLU . 86.2 t -126.92 145.25 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.405 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.2 m -100.72 109.71 21.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.39 148.28 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -133.18 112.26 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.615 ' CG2' HG13 ' A' ' 35' ' ' VAL . 17.2 pt -131.38 142.62 42.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.574 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.54 142.34 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -133.48 143.34 48.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.8 p -92.37 -87.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 30' ' ' GLY . 2.2 mt-10 -89.34 20.73 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 62.45 -0.36 0.53 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.673 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -104.79 -19.02 11.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -136.74 136.52 39.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.671 0.272 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 p -107.42 130.42 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.92 HG13 ' H ' ' A' ' 34' ' ' THR . 2.6 p -66.74 -100.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.92 ' H ' HG13 ' A' ' 33' ' ' VAL . 6.1 t -122.12 144.01 49.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.627 0.251 . . . . 0.0 110.569 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 61' ' ' GLU . 63.8 t -99.47 137.11 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.601 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -132.81 106.53 7.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.413 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.59 138.14 36.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.484 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 5.0 mt-10 -49.89 109.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -78.17 -16.48 57.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -74.84 -45.94 39.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.759 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.878 ' OE1' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -75.12 -23.47 57.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.542 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 73.7 m -81.55 -18.4 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -32.62 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.591 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.9 -34.38 26.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.533 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -24.49 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.97 -32.15 79.03 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -65.52 -26.83 68.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.471 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.76 -21.2 32.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.729 HG22 HD21 ' A' ' 72' ' ' LEU . 69.1 p -91.75 -44.14 9.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.519 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.06 -20.01 51.95 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.41 156.31 56.67 Favored Pre-proline 0 C--N 1.33 -0.265 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -39.51 158.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.355 2.036 . . . . 0.0 111.753 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.85 -54.52 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.348 2.032 . . . . 0.0 112.053 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -45.37 -47.14 13.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.494 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -43.98 -51.88 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 59' ' ' MET . 56.9 t -56.73 -51.16 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.504 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -46.05 -53.33 10.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.52 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.3 -16.24 63.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.471 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.586 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -82.0 -51.93 7.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.749 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.2 p -76.16 -11.09 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.658 ' HG2' HG11 ' A' ' 35' ' ' VAL . 1.2 tm-20 -80.25 -55.19 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.451 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.89 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.446 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -50.07 -59.69 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.63 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.722 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.486 ' NH1' ' OE1' ' A' ' 61' ' ' GLU . 13.8 ttm-85 -70.07 -32.87 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.624 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ALA . 3.4 m -106.0 -7.16 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 49.43 87.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.2 -149.43 4.97 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.528 ' O ' ' CD1' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -132.8 154.9 49.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.669 0.271 . . . . 0.0 110.622 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.586 HG21 ' SD ' ' A' ' 59' ' ' MET . 13.1 t -129.98 146.65 33.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.698 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.52 ' OD2' ' CH2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -131.19 113.28 13.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.313 179.78 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.729 HD21 HG22 ' A' ' 49' ' ' THR . 2.4 mp -67.75 -58.86 3.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.584 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -75.14 47.88 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.636 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -172.67 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.418 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 56.31 66.17 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.76 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -137.61 138.27 39.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.7 mt -135.33 96.25 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.579 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 174.33 5.92 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 80' ' ' GLN . 3.1 p -102.27 157.13 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.576 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' GLY . 3.9 tt0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.525 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.67 0.272 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.36 138.53 46.61 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.622 2.215 . . . . 0.0 111.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 44.3 p -124.9 143.63 50.75 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.88 146.05 31.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.616 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -99.05 151.39 21.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.44 ' N ' ' CD ' ' B' ' 7' ' ' GLU . 4.3 mm-40 -110.39 175.41 5.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.34 86.1 1.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.531 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.618 HG12 ' N ' ' B' ' 10' ' ' ARG . 58.3 t -81.4 164.85 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.618 ' N ' HG12 ' B' ' 9' ' ' VAL . 13.9 ttm180 -137.57 123.31 19.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.663 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.74 105.8 19.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 16' ' ' ALA . 16.1 m -99.25 151.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.717 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.97 95.32 2.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.423 HG22 ' N ' ' B' ' 15' ' ' VAL . 2.8 p -154.18 154.09 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.423 ' N ' HG22 ' B' ' 14' ' ' VAL . 0.2 OUTLIER -140.22 107.73 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.74 169.54 2.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.54 166.14 26.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -96.97 -169.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -149.28 154.26 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.764 HG11 HG21 ' B' ' 60' ' ' VAL . 8.4 p -132.1 155.05 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.637 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.445 ' N ' HG22 ' B' ' 20' ' ' VAL . 18.6 t -105.42 115.74 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.438 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.64 143.82 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.353 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -109.61 127.75 54.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.618 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -133.33 124.32 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.457 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.656 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -101.97 134.69 44.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -133.41 126.31 30.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.6 p -76.66 -179.15 5.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -88.33 20.67 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -117.11 26.5 9.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.719 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 54.75 11.83 3.14 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -99.58 145.85 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.508 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.552 ' O ' HG13 ' B' ' 32' ' ' VAL . 9.8 p -107.57 120.8 59.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.493 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.945 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -61.54 -96.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.945 ' H ' HG13 ' B' ' 33' ' ' VAL . 6.6 m -146.86 136.54 23.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.782 0.325 . . . . 0.0 110.691 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.447 ' H ' HG12 ' B' ' 35' ' ' VAL . 0.9 OUTLIER -79.34 130.85 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.451 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -132.59 99.12 4.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.592 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.66 136.85 39.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -41.77 120.13 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.434 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -76.26 -10.12 59.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -75.57 -64.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.718 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 8.6 mt-10 -61.33 -46.41 90.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 93.8 m -53.94 -36.91 63.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.559 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -80.37 -50.6 9.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.391 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.48 -26.07 53.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.489 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 26.9 mt -74.05 -44.11 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.545 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' B' ' 50' ' ' GLY . . . -54.98 -22.9 29.5 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -77.06 -34.13 57.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 110.613 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -83.5 -25.43 31.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.575 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -100.03 -37.38 9.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' B' ' 46' ' ' GLY . . . 102.42 -26.88 22.67 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.2 mm -60.36 132.43 90.57 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.43 ' O ' HG23 ' B' ' 56' ' ' VAL . 80.6 Cg_exo -39.93 157.41 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.223 0 C-N-CA 121.795 1.663 . . . . 0.0 111.795 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.52 -57.04 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.265 1.977 . . . . 0.0 112.128 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -45.48 -56.84 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.456 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -46.77 -59.25 3.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.705 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 52' ' ' PRO . 83.8 t -48.09 -49.92 11.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.634 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -51.04 -30.98 17.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.81 -24.05 33.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.586 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' B' ' 59' ' ' MET . 7.5 tmm? -74.64 -56.63 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.764 HG21 HG11 ' B' ' 20' ' ' VAL . 4.0 p -64.53 -34.61 70.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.755 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' B' ' 62' ' ' ALA . 4.6 tm-20 -57.97 -60.31 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.352 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.442 ' N ' ' CD ' ' B' ' 61' ' ' GLU . . . -48.95 -31.74 7.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.169 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -70.01 -27.02 64.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.445 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 61' ' ' GLU . . . -74.69 -21.76 59.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.323 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -79.32 -38.52 35.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.771 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.64 -25.74 3.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 66.44 102.51 0.02 OUTLIER Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.04 -162.03 25.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -108.54 163.28 13.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.765 0.317 . . . . 0.0 110.457 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.6 t -144.83 133.7 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.33 112.87 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.078 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 tp -71.36 -41.81 69.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.599 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.93 32.12 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.192 0.52 . . . . 0.0 110.901 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' B' ' 72' ' ' LEU . 23.4 tt0 -173.03 -18.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 ttp85 63.72 47.19 3.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' B' ' 74' ' ' GLU . 0.6 OUTLIER -103.77 165.83 10.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.619 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 7.6 mt -144.45 102.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' LYS . . . . . 0.433 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 3.7 mmtm -99.37 164.36 12.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.528 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.538 HG12 ' H ' ' B' ' 80' ' ' GLN . 0.7 OUTLIER -101.49 -152.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.396 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.538 ' H ' HG12 ' B' ' 79' ' ' VAL . 5.4 pt20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.704 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.488 1.157 0 CA-C-O 120.69 0.204 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.71 155.61 18.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -166.34 147.06 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.515 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -87.64 153.11 21.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.524 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -124.28 151.28 44.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -113.96 115.04 27.01 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.683 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.08 167.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.473 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -129.4 128.06 42.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.592 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 t -123.78 138.13 54.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.6 m -118.63 95.98 4.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.713 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.483 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -109.86 95.27 5.49 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.478 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 15' ' ' VAL . 74.6 t -153.65 153.49 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.9 p -140.34 111.22 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.501 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 169.31 155.98 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 173.74 174.36 40.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -77.3 -168.19 1.07 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.773 0.32 . . . . 0.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -135.27 146.52 48.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.419 HG11 HG21 ' A' ' 60' ' ' VAL . 94.0 t -134.04 142.85 40.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.68 143.23 31.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 t -143.02 137.92 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.485 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -107.43 118.01 35.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.641 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.47 HD11 ' HB1' ' A' ' 64' ' ' ALA . 96.5 mt -115.13 121.53 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.29 120.9 41.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.724 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.64 168.76 9.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.48 ' C ' ' H ' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -135.75 -87.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 30' ' ' GLY . 5.8 mm-40 -75.47 25.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' THR . 11.9 tt0 50.15 14.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 28' ' ' GLU . . . -145.53 4.09 1.23 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -138.21 136.13 36.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.747 0.308 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 32' ' ' VAL . 2.8 p -107.49 93.88 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.578 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.718 HG23 ' H ' ' A' ' 34' ' ' THR . 34.3 m -52.67 -59.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.718 ' H ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -151.16 163.47 38.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.755 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.9 m -144.35 119.13 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.513 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.1 155.3 17.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.57 147.87 45.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.489 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.3 mm-40 -57.46 116.01 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.482 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 1.004 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 34.5 p90 -80.64 -17.96 49.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 1.004 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 3.4 m-20 -77.66 -64.36 1.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.645 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -57.8 -31.81 66.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 22.3 m -66.26 -45.61 79.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.676 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLY . 6.4 ttm180 -78.21 -50.02 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -42.91 -33.64 0.82 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.513 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.6 mt -84.88 -31.12 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.601 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -46.51 -29.02 3.73 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.71 -30.83 63.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 0.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ILE . 51.5 mm-40 -82.65 -16.64 47.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.519 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.6 p -93.6 -50.16 5.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.593 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.45 18.64 54.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.45 155.89 71.16 Favored Pre-proline 0 N--CA 1.463 0.218 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -34.99 99.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 123.027 2.485 . . . . 0.0 112.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.0 -15.16 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.195 1.93 . . . . 0.0 111.933 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -67.47 -56.36 9.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.456 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -45.99 -53.7 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.692 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.5 t -43.91 -54.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.642 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -49.36 -40.52 35.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.461 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.99 -26.41 36.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.441 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -72.32 -56.18 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.667 HG13 ' N ' ' A' ' 61' ' ' GLU . 8.8 p -52.49 -53.98 17.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.441 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.667 ' N ' HG13 ' A' ' 60' ' ' VAL . 63.5 mt-10 -43.46 -48.63 7.26 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.252 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 65' ' ' ARG . . . -50.42 -47.98 56.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.254 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.594 ' HB1' ' HA2' ' A' ' 68' ' ' GLY . . . -43.86 -62.81 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.381 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.47 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -52.12 -20.53 2.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.619 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 62' ' ' ALA . 23.6 ttm-85 -84.64 -28.07 26.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.973 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.677 ' O ' HG22 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -121.68 14.66 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.718 -179.72 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.63 ' CA ' HG13 ' A' ' 79' ' ' VAL . . . 133.74 -107.94 0.71 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.594 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 169.04 67.93 0.03 OUTLIER Glycine 0 CA--C 1.532 1.148 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.533 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.447 ' HB3' ' H ' ' A' ' 78' ' ' LYS . 0.9 OUTLIER -161.38 135.01 6.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.631 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.424 HG21 ' SD ' ' A' ' 59' ' ' MET . 2.6 t -142.89 135.95 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.268 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 76' ' ' GLU . 1.1 m-20 -120.59 113.83 20.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.219 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.494 HD22 ' OE1' ' B' ' 13' ' ' GLN . 5.1 mp -82.79 -53.12 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -70.59 7.81 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.4 mt-10 -141.8 -10.07 0.91 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.679 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 50.13 59.51 4.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.485 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' O ' ' OD2' ' A' ' 71' ' ' ASP . 3.6 mm-40 -138.14 156.67 47.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.1 mt -131.53 131.83 62.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.447 ' H ' ' HB3' ' A' ' 69' ' ' TRP . 1.2 mttm -138.06 -177.64 4.92 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.587 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 66' ' ' VAL . 45.1 t -110.14 -82.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.891 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.591 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.607 0.242 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -51.75 167.44 0.43 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.641 2.227 . . . . 0.0 112.154 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -167.4 154.47 8.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -147.53 135.9 21.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -77.48 145.25 37.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.571 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -134.93 132.05 38.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' B' ' 8' ' ' ASP . 0.2 OUTLIER -96.6 156.84 16.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.65 145.83 34.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.47 123.32 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -113.79 115.04 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -122.7 136.11 60.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.494 ' OE1' HD22 ' A' ' 72' ' ' LEU . 1.9 mt-30 -141.48 97.3 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.402 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.467 HG22 ' N ' ' B' ' 15' ' ' VAL . 7.3 p -153.39 155.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.64 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 2.3 p -138.16 144.39 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.506 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' B' ' 15' ' ' VAL . . . 77.05 159.67 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.586 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.14 -62.66 0.03 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.36 -171.87 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.543 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -142.43 138.92 31.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.712 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.556 HG13 ' CD ' ' B' ' 41' ' ' GLU . 95.1 t -136.36 141.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.28 152.8 19.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.589 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 t -136.1 165.09 30.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.365 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -133.9 120.05 19.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.409 HG23 HG22 ' B' ' 35' ' ' VAL . 1.3 mt -132.19 151.36 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.99 107.47 6.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.534 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -84.43 162.27 20.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.568 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.4 p -137.14 -61.68 0.65 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' B' ' 29' ' ' GLU . 28.4 mt-10 -82.39 0.29 42.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' B' ' 28' ' ' GLU . 8.5 tt0 77.2 18.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -155.16 -38.54 0.02 OUTLIER Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.17 149.33 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.722 0.296 . . . . 0.0 110.64 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.645 ' O ' HG13 ' B' ' 32' ' ' VAL . 13.2 p -107.54 111.43 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.729 HG13 ' H ' ' B' ' 34' ' ' THR . 7.5 p -52.78 -59.6 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.952 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.729 ' H ' HG13 ' B' ' 33' ' ' VAL . 98.7 m -151.38 163.32 39.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.737 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.588 ' N ' HG22 ' B' ' 34' ' ' THR . 89.3 t -136.01 135.23 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.523 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -132.88 87.61 2.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.479 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.13 147.99 51.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.635 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.18 106.49 0.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -71.2 -17.09 62.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.738 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.6 -64.2 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.556 ' CD ' HG13 ' B' ' 20' ' ' VAL . 1.5 pp20? -54.56 -26.94 35.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' OE2' ' B' ' 41' ' ' GLU . 1.3 m -75.19 -43.26 53.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.712 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -66.79 -44.9 80.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.579 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' B' ' 44' ' ' GLU . 0.4 OUTLIER -67.66 -37.69 82.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' B' ' 41' ' ' GLU . 1.4 mm -63.28 -55.26 24.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.34 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -47.69 -18.86 0.73 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -81.36 -41.65 21.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.692 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.91 4.8 24.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 29.1 p -130.83 -40.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.28 -25.53 27.4 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.8 mm -55.47 128.86 68.8 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.679 ' O ' HG23 ' B' ' 56' ' ' VAL . 72.0 Cg_exo -42.04 157.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.749 1.633 . . . . 0.0 111.619 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.23 -54.8 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.322 2.014 . . . . 0.0 112.077 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -51.18 -54.84 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.444 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -51.01 -42.11 60.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.615 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 52' ' ' PRO . 97.1 t -67.92 -47.84 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 110.505 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -47.36 -44.61 24.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.99 -58.74 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' B' ' 59' ' ' MET . 10.2 tmm? -44.19 -32.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.504 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.7 t -82.5 -51.49 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.797 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.74 -44.49 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.34 97.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.402 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -47.45 -63.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.67 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.32 -26.92 32.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.717 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -63.95 -28.7 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.665 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.53 -2.53 6.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 51.76 95.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.46 -172.62 29.05 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -107.61 166.61 10.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.776 0.322 . . . . 0.0 110.622 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.448 HG22 HG23 ' B' ' 77' ' ' ILE . 96.8 t -142.85 133.16 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.2 OUTLIER -109.55 113.02 25.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.501 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -79.65 -54.17 6.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.74 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -58.82 -2.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.686 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.6 mt-10 -136.99 -8.91 1.8 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' B' ' 71' ' ' ASP . 5.3 mtt-85 51.99 79.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.89 145.79 28.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.571 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' ILE . . . . . 0.448 HG23 HG22 ' B' ' 70' ' ' VAL . 16.5 mt -139.25 116.23 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -137.93 163.55 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -179.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo . . . . . 0 N--CA 1.486 1.047 0 CA-C-O 120.631 0.18 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.99 175.74 0.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.385 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -167.36 144.11 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -99.65 153.56 18.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.568 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -127.45 127.03 43.41 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -102.85 95.38 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.775 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.16 124.79 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.497 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -97.42 123.39 41.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.71 107.35 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.342 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 12' ' ' VAL . 25.4 m -97.85 103.89 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.763 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -113.69 95.35 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.083 0.468 . . . . 0.0 110.347 179.58 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -152.99 151.86 11.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 15' ' ' VAL . 33.8 m -140.44 116.98 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.433 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.651 ' O ' HG12 ' B' ' 12' ' ' VAL . . . 172.64 157.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.18 -169.52 40.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -83.91 -175.81 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.615 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -146.0 112.6 5.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -96.16 140.41 17.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.13 132.05 34.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.645 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 t -142.44 126.62 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -102.35 120.7 40.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.784 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.606 HD11 ' HB1' ' A' ' 64' ' ' ALA . 1.3 mt -124.75 125.35 69.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.486 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.597 ' HB3' HG11 ' A' ' 33' ' ' VAL . . . -98.21 112.28 24.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.99 146.35 30.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.517 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.0 p -105.48 -169.68 1.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.8 9.51 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -96.63 -27.86 14.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.469 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.39 38.15 2.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.19 152.86 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.519 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 32' ' ' VAL . 13.9 p -107.36 128.08 62.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.682 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.97 HG13 ' H ' ' A' ' 34' ' ' THR . 2.4 p -66.97 -95.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.507 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.97 ' H ' HG13 ' A' ' 33' ' ' VAL . 19.7 m -138.87 121.77 16.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.803 0.335 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 m -74.53 146.9 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -132.67 127.14 34.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.475 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.76 144.33 51.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.7 tt0 -65.11 121.57 15.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.669 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 45.2 p90 -74.12 -14.08 60.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.678 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.576 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -76.45 -64.57 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -53.41 -31.62 45.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.518 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 92.6 m -66.98 -50.75 61.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -49.91 36.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.92 -31.42 28.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.664 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -73.78 -40.67 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.82 -31.29 38.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.73 -20.28 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.63 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -87.12 -36.02 18.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.688 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.2 p -88.39 -50.19 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.06 33.98 5.83 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.69 155.65 69.36 Favored Pre-proline 0 N--CA 1.464 0.227 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -35.44 99.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.892 2.395 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.2 -23.06 12.31 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.303 2.002 . . . . 0.0 112.017 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -66.57 -52.63 43.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -58.8 -34.89 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 60' ' ' VAL . 48.9 t -52.8 -56.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -51.22 -54.84 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.66 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.64 84.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.489 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 59' ' ' MET . 8.5 tmm? -64.03 -45.01 90.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.534 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 95.8 t -60.25 -64.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.665 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -43.4 -56.71 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.7 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.99 -33.96 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.417 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 60' ' ' VAL . . . -68.35 -58.51 4.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.729 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.606 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -49.04 -20.46 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.635 ' HE ' ' CA ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -78.99 -41.9 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.916 -179.704 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.14 -6.44 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.878 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 156.11 -94.48 0.14 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.514 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 150.96 72.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.227 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.403 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 8.5 t-105 -160.34 135.97 8.24 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.7 t -148.04 146.06 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 111.177 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -123.71 112.41 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.782 179.224 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.477 ' C ' ' N ' ' A' ' 74' ' ' GLU . 7.6 mp -77.63 -22.52 50.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.609 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -47.82 -13.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' C ' ' A' ' 72' ' ' LEU . 1.8 tm-20 -173.75 14.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 57.12 97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.642 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -145.99 117.29 7.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.1 mm -84.02 103.95 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -113.24 165.46 12.39 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.163 0.506 . . . . 0.0 110.671 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.11 143.06 25.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.219 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.492 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -83.42 137.83 8.3 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.646 2.23 . . . . 0.0 112.174 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 82.5 p -97.24 147.57 23.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -139.5 139.57 36.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -100.56 145.64 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.606 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -117.83 128.81 55.21 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.509 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.402 ' OD2' ' N ' ' B' ' 8' ' ' ASP . 3.9 m-20 -100.17 88.69 3.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.659 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.24 126.65 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -101.69 123.3 45.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.773 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.4 t -112.08 106.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.626 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 16' ' ' ALA . 2.4 m -103.06 142.1 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -145.04 94.42 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.308 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.4 152.2 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.662 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.559 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 1.0 OUTLIER -139.58 106.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.601 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 169.62 147.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.16 -166.36 31.47 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -77.45 -177.18 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.624 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -151.36 119.68 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.707 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.422 HG22 ' N ' ' B' ' 21' ' ' SER . 7.2 p -104.46 153.54 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.422 ' N ' HG22 ' B' ' 20' ' ' VAL . 45.0 t -102.86 125.76 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.491 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.05 142.45 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.587 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -102.67 129.71 49.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.556 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.778 HD11 ' HB1' ' B' ' 64' ' ' ALA . 6.8 mt -135.35 127.37 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.3 104.22 15.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -100.66 128.91 46.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.592 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 3.4 t -88.62 -169.3 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.569 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.519 ' N ' ' OG1' ' B' ' 27' ' ' THR . 3.3 tp10 -80.06 26.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.402 ' H ' HG23 ' B' ' 27' ' ' THR . 1.0 OUTLIER -124.75 15.7 8.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.623 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.87 17.32 1.46 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -102.92 159.41 15.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.775 0.321 . . . . 0.0 110.502 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.709 ' O ' HG13 ' B' ' 32' ' ' VAL . 7.4 p -107.51 96.74 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.417 ' H ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -52.2 -59.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.719 -179.836 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.23 163.5 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.709 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.23 141.93 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.379 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -131.47 98.41 4.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.6 158.54 29.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.76 122.17 28.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 0.67 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 32.6 p90 -77.64 -9.52 59.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.67 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 14.5 m-20 -77.68 -64.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 12.1 mt-10 -57.36 -35.77 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.602 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -46.31 90.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -71.8 -34.3 69.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.58 -54.74 31.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.521 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.416 ' C ' ' N ' ' B' ' 47' ' ' GLU . 85.8 mt -68.73 -28.54 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.42 -18.96 0.38 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' B' ' 45' ' ' ILE . 0.5 OUTLIER -77.64 -42.43 34.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.757 0.313 . . . . 0.0 110.506 -179.833 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.53 -22.51 66.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.651 HG22 HD21 ' B' ' 72' ' ' LEU . 19.5 p -84.69 -50.08 7.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.64 -9.97 68.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.2 156.33 35.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.357 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -38.85 158.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.213 1.942 . . . . 0.0 111.806 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -71.94 -49.03 0.33 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.249 1.966 . . . . 0.0 112.056 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -47.64 -54.71 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.528 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -44.53 -38.36 4.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.573 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.26 -54.19 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.649 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -45.98 -41.3 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.93 91.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.626 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.554 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -69.44 -42.1 75.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.766 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 68.2 t -73.45 -30.91 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.662 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.48 -57.83 5.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.484 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.64 57.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -55.5 -62.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.778 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -43.37 -33.81 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.608 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -60.79 -44.0 97.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.463 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -1.72 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.51 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 46.1 96.36 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.57 -174.89 33.95 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -104.68 160.32 15.06 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.029 0.442 . . . . 0.0 110.406 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.554 HG21 ' SD ' ' B' ' 59' ' ' MET . 22.3 t -137.47 148.88 25.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.6 113.06 20.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.651 HD21 HG22 ' B' ' 49' ' ' THR . 1.3 mp -67.83 -61.04 2.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.694 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -75.45 49.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.604 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -177.88 -23.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.508 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 57.16 75.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.654 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -138.06 159.19 42.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.467 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mt -138.27 103.64 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.667 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' LYS . . . . . 0.445 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 2.8 mmtm -97.67 158.67 15.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.481 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 13.1 t -101.12 141.42 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.637 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 N--CA 1.488 1.183 0 CA-C-O 120.811 0.255 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.84 153.25 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -138.37 120.97 16.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.673 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -86.56 136.83 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -110.3 128.97 55.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.487 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.487 ' OD1' ' NH1' ' B' ' 19' ' ' ARG . 2.0 m-20 -101.66 100.1 10.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.639 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 9' ' ' VAL . 1.6 t -79.99 160.68 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.562 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ttm105 -134.94 122.98 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -112.54 111.26 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.12 148.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.749 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.03 95.55 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.37 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.23 148.4 22.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.586 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.8 144.47 17.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.515 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.02 159.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.43 -92.1 0.33 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -70.49 169.03 14.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.773 0.321 . . . . 0.0 110.646 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.34 115.31 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.525 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 21' ' ' SER . 46.0 t -95.08 158.4 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.508 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.489 ' N ' HG12 ' A' ' 20' ' ' VAL . 16.2 t -127.62 120.99 29.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.691 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 23' ' ' LYS . 43.8 t -110.07 157.39 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.441 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.466 ' N ' HG12 ' A' ' 22' ' ' VAL . 46.5 mttp -132.64 110.72 10.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.451 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -99.16 141.58 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.604 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.92 101.77 12.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -95.26 134.32 38.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.501 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.55 -61.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.611 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -94.75 18.14 12.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.513 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 54.52 14.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.1 -44.43 0.18 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.35 149.17 27.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.704 ' O ' HG13 ' A' ' 32' ' ' VAL . 8.1 p -107.38 97.57 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 34' ' ' THR . 7.2 p -49.15 -56.74 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.682 ' N ' HG13 ' A' ' 33' ' ' VAL . 3.4 m -151.28 157.55 42.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.816 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.45 148.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.356 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -132.93 114.6 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.531 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.09 149.47 21.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -64.92 99.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.719 ' CZ ' ' OD2' ' A' ' 40' ' ' ASP . 24.7 p90 -58.6 -41.22 85.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.6 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.719 ' OD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -46.89 -56.31 6.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.648 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HG3' HG22 ' A' ' 20' ' ' VAL . 4.4 tm-20 -56.93 -60.07 4.12 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.138 0.494 . . . . 0.0 110.492 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 41' ' ' GLU . 4.5 m -41.16 -38.09 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.974 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -38.8 29.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.698 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -66.72 -60.78 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -49.81 -31.89 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.424 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.61 -19.08 18.23 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -84.02 -39.05 20.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 3.0 mm-40 -74.0 -24.72 59.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -84.98 -49.6 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.45 15.72 42.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.5 156.87 69.85 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -39.85 144.91 0.31 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.304 2.003 . . . . 0.0 111.928 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.7 -5.15 15.76 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.252 1.968 . . . . 0.0 112.456 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -57.04 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.359 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.01 -23.05 30.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.711 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 t -83.04 -52.4 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.641 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' C ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -45.53 -52.06 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.373 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.15 -56.14 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.698 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 59' ' ' MET . 11.3 tmm? -41.29 -51.48 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 90.6 t -63.36 -51.78 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -53.35 -48.82 68.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.421 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.68 -37.4 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.485 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -59.93 -63.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.13 -21.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -73.51 -47.26 42.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -106.82 2.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.805 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 45.47 97.95 0.01 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.85 -148.54 5.22 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -133.58 161.38 34.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.91 154.05 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.49 112.31 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.078 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.5 mp -74.86 1.04 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.965 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -40.83 -26.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.489 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LEU . 20.2 pt-20 -173.39 30.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.337 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 60.64 79.46 0.24 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.646 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.43 150.24 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.93 121.35 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.17 132.58 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -89.12 -163.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.637 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.533 0.3 0 CA-C-O 120.578 0.228 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -51.1 145.18 26.44 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.437 2.091 . . . . 0.0 112.179 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.6 p -132.69 126.3 32.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.454 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.1 140.27 38.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.552 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -99.18 136.67 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.41 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.77 167.07 11.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.54 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -138.39 143.96 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.91 117.95 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -89.89 146.27 24.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.21 130.17 51.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.533 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.712 HG23 ' O ' ' B' ' 12' ' ' VAL . 32.3 m -134.12 98.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.701 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -105.15 94.72 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.228 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.406 HG12 ' N ' ' B' ' 15' ' ' VAL . 91.6 t -152.14 152.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.583 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.591 ' O ' HG23 ' B' ' 15' ' ' VAL . 27.8 m -121.69 118.75 56.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.443 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.17 173.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.72 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.57 159.57 7.98 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -98.57 -168.57 1.66 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.448 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.487 ' NH1' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -145.68 154.39 42.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.476 HG11 HG11 ' B' ' 60' ' ' VAL . 51.5 t -134.27 148.1 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.348 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -102.12 141.02 35.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.521 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 5.8 t -139.33 126.13 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.569 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -101.26 111.43 23.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.65 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.583 HG23 HG12 ' B' ' 35' ' ' VAL . 0.3 OUTLIER -118.03 137.78 50.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.444 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.586 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -99.67 117.4 33.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -107.15 141.92 37.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.522 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p -96.63 -165.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -88.39 -48.18 7.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.619 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' B' ' 29' ' ' GLU . 1.9 mp0 -48.75 -23.77 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.63 19.49 17.73 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -101.37 155.85 17.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.445 ' O ' HG13 ' B' ' 32' ' ' VAL . 8.7 p -107.55 127.69 63.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.92 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -75.49 -97.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.92 ' H ' HG13 ' B' ' 33' ' ' VAL . 2.2 m -134.72 143.5 47.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.54 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.583 HG12 HG23 ' B' ' 24' ' ' ILE . 3.2 m -98.59 136.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.581 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.7 96.49 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.69 142.98 38.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -61.71 106.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' PHE . . . . . 1.058 ' HD1' ' NH1' ' B' ' 43' ' ' ARG . 47.0 p90 -65.0 -4.41 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 2.6 m-20 -76.83 -64.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.661 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.59 -25.53 68.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -40.65 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.636 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ARG . . . . . 1.058 ' NH1' ' HD1' ' B' ' 39' ' ' PHE . 6.2 ttm-85 -65.88 -56.43 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.94 -25.57 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.2 mm -76.86 -24.65 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.42 -24.14 61.18 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLU . . . . . 0.426 ' OE2' ' N ' ' B' ' 47' ' ' GLU . 4.7 mp0 -79.05 -20.13 49.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.527 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -87.19 -36.07 18.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.66 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 53.6 p -84.94 -46.74 10.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.43 -21.78 39.9 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.32 156.42 62.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -38.79 157.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.43 0 C-N-CA 122.37 2.047 . . . . 0.0 111.863 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.48 -56.15 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.345 2.03 . . . . 0.0 112.11 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -43.9 -52.07 7.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.01 -42.9 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.632 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.3 t -65.89 -42.61 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -59.45 -40.83 88.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.776 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.11 -59.96 2.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.638 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' MET . . . . . 0.488 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -51.71 -43.84 62.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.476 HG11 HG11 ' B' ' 20' ' ' VAL . 59.3 t -72.61 -39.35 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.76 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.16 -54.87 42.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.884 0.373 . . . . 0.0 110.355 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.78 -51.06 54.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.482 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -43.75 -55.07 4.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.616 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.71 -30.34 21.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.538 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -72.17 -31.56 66.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.784 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 m -103.78 -9.81 9.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.712 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 54.29 81.3 0.06 OUTLIER Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.422 ' C ' ' CE3' ' B' ' 69' ' ' TRP . . . -161.31 -174.92 31.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' TRP . . . . . 0.556 ' CD2' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -105.98 170.09 8.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 110.494 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' B' ' 59' ' ' MET . 8.0 t -140.02 140.66 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.53 113.09 25.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 mp -72.14 -51.44 21.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.537 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -74.32 34.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.3 mm-40 -170.59 -10.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.541 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ARG . . . . . 0.445 ' H ' ' H ' ' B' ' 74' ' ' GLU . 28.0 mtt85 48.21 80.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.88 0.371 . . . . 0.0 110.635 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -145.55 161.61 39.37 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.474 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -133.22 76.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.487 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 113.38 1.02 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.626 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' B' ' 80' ' ' GLN . 1.3 p -100.66 142.62 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.424 ' CB ' ' O ' ' B' ' 79' ' ' VAL . 2.1 tt0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.579 0.228 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -51.92 103.35 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.687 2.258 . . . . 0.0 111.971 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.26 133.2 33.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.627 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.44 ' NH2' ' OE2' ' B' ' 26' ' ' GLU . 5.7 mmm-85 -105.2 146.87 28.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -124.56 149.6 46.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.548 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.39 131.75 51.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.406 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.5 87.03 5.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.605 HG12 ' N ' ' A' ' 10' ' ' ARG . 59.8 t -76.0 165.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.605 ' N ' HG12 ' A' ' 9' ' ' VAL . 1.6 ttm180 -137.6 133.88 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.682 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.21 109.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.323 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 12' ' ' VAL . 27.1 m -102.93 125.81 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -126.19 100.39 6.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' O ' ' OE2' ' B' ' 74' ' ' GLU . 2.6 t -146.08 155.45 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.674 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.638 ' O ' HG13 ' A' ' 15' ' ' VAL . 11.7 p -134.6 115.81 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 172.29 -177.38 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.04 135.61 2.63 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -93.6 149.78 20.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.671 0.272 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -106.54 150.65 25.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.536 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.567 HG22 ' OE2' ' A' ' 41' ' ' GLU . 59.6 t -124.34 141.47 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.07 136.57 42.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.5 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -136.49 141.59 40.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.8 126.01 49.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.5 mt -133.71 115.34 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.32 138.15 31.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.56 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -133.36 158.52 42.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.82 -73.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.675 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -76.86 15.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.603 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 54.45 30.62 13.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.479 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.42 -33.94 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -101.89 133.32 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.69 0.281 . . . . 0.0 110.597 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 32' ' ' VAL . 12.0 p -107.41 109.17 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.726 HG13 ' H ' ' A' ' 34' ' ' THR . 7.4 p -53.81 -59.91 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.726 ' H ' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -151.27 163.58 38.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.641 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 35' ' ' VAL . 22.4 m -138.66 115.73 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.409 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -113.39 139.84 48.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.758 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.78 146.05 35.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -59.69 107.94 0.67 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.568 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -70.19 -16.6 63.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.449 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.2 -63.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.567 ' OE2' HG22 ' A' ' 20' ' ' VAL . 1.3 pp20? -55.77 -23.16 28.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.608 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.0 m -77.31 -39.52 47.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -34.49 76.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.51 -28.34 56.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.5 mm -74.79 -24.71 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.592 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.28 -27.5 65.5 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.09 -30.78 68.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 110.468 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.63 -32.3 32.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.595 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -85.21 -50.03 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.5 -18.85 54.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -85.8 156.65 58.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -38.7 157.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.319 2.013 . . . . 0.0 111.884 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.89 -47.91 0.54 Allowed 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.277 1.985 . . . . 0.0 112.254 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.9 ttp85 -52.17 -48.89 64.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.601 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -47.6 -36.34 10.59 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.68 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.63 -37.05 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -61.63 -54.01 48.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -25.8 67.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 59' ' ' MET . 10.3 tmm? -78.75 -51.16 10.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.485 HG11 HG11 ' A' ' 20' ' ' VAL . 71.5 t -74.09 -13.36 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -79.84 -62.33 1.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.35 -35.59 39.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -67.42 -38.76 85.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.565 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.19 -21.74 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -78.19 -41.89 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.567 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -100.25 -0.36 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.492 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 48.74 99.07 0.01 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.47 ' O ' HG13 ' B' ' 9' ' ' VAL . . . -160.97 178.92 36.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.538 ' HE1' ' CB ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -102.83 174.23 5.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.939 0.399 . . . . 0.0 110.392 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 t -142.84 143.94 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.7 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.49 ' OD2' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -127.95 112.85 15.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.384 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mp -76.49 -16.32 59.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -53.67 -23.97 12.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.24 20.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.456 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 46.0 75.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -133.03 165.4 24.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.58 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.0 mt -144.57 130.6 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.538 ' CB ' ' HE1' ' A' ' 69' ' ' TRP . 16.8 mmtm -137.54 160.15 39.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.517 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 1.4 t -75.26 159.5 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.538 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.603 HG22 ' O ' ' B' ' 2' ' ' VAL . 2.1 p . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.112 0.482 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.65 161.58 14.45 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.498 2.132 . . . . 0.0 112.134 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -127.64 177.23 6.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.574 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -160.92 142.27 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.716 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -102.12 146.67 27.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.527 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.39 131.23 56.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.657 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -98.34 148.34 23.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.671 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 68' ' ' GLY . 59.0 t -138.97 129.1 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -97.09 123.41 40.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.539 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.17 108.07 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.488 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -104.08 157.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -157.69 95.47 1.43 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.332 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 p -130.56 123.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.661 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 23.8 m -135.48 144.35 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' B' ' 15' ' ' VAL . . . 78.79 154.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.87 -140.61 5.9 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -83.22 179.24 7.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.439 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -146.32 148.94 32.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.705 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.617 HG11 HG21 ' B' ' 60' ' ' VAL . 24.5 t -137.72 131.89 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.9 m -98.41 122.84 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.522 HG12 ' N ' ' B' ' 23' ' ' LYS . 70.2 t -102.33 159.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.522 ' N ' HG12 ' B' ' 22' ' ' VAL . 29.8 tttp -122.32 128.49 51.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.565 HG23 HG12 ' B' ' 35' ' ' VAL . 8.6 mt -136.5 119.69 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.557 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -88.78 101.81 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.44 ' OE2' ' NH2' ' A' ' 5' ' ' ARG . 3.6 tt0 -106.89 129.64 54.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.3 p -85.87 175.01 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.422 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.49 -49.14 77.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.45 -29.88 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.48 28.71 6.6 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.59 147.97 24.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.734 0.302 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.573 ' O ' HG13 ' B' ' 32' ' ' VAL . 9.6 p -107.58 118.87 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.595 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.932 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -76.94 -94.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.331 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.932 ' H ' HG13 ' B' ' 33' ' ' VAL . 6.0 m -135.35 138.5 43.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.47 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.565 HG12 HG23 ' B' ' 24' ' ' ILE . 4.3 m -98.93 131.21 46.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.71 107.34 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.551 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.26 135.35 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -41.65 118.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -73.32 -22.81 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.626 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.466 ' CG ' ' N ' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -69.52 -61.06 1.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.866 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' B' ' 40' ' ' ASP . 6.2 pt-20 -59.42 -25.69 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.739 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 35.4 m -81.87 -16.17 51.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.67 -53.39 7.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.571 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.7 -41.81 98.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.546 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mm -58.75 -26.33 31.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.402 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.11 -18.62 78.3 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -84.2 -33.01 24.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.947 0.403 . . . . 0.0 110.651 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -85.63 -20.91 28.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.656 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 66.3 p -98.14 -42.36 7.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.539 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.31 28.73 9.49 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 mt -125.53 132.43 24.31 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -40.46 157.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.678 1.585 . . . . 0.0 111.728 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -71.33 -54.39 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.355 2.037 . . . . 0.0 112.068 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -49.28 -44.12 43.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.505 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -36.8 81.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.396 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 68.5 t -73.44 -34.63 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.599 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -61.8 -48.75 79.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.5 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.58 -29.32 70.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.523 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 10.3 tmm? -73.07 -63.47 1.17 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.643 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.617 HG21 HG11 ' B' ' 20' ' ' VAL . 9.1 p -59.57 -28.63 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.63 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' B' ' 62' ' ' ALA . 4.3 tm-20 -63.51 -61.59 2.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.505 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.47 ' N ' ' CD ' ' B' ' 61' ' ' GLU . . . -48.57 -27.36 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -67.12 -62.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.79 -24.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' B' ' 63' ' ' ALA . 7.5 tpp180 -73.69 -44.1 57.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.79 1.75 10.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 43.54 92.45 0.01 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.33 -175.11 33.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -103.85 159.23 15.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.678 0.275 . . . . 0.0 110.614 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.35 141.22 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.672 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -113.5 121.86 45.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.529 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 mp -88.03 -58.37 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.743 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -62.07 1.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' B' ' 72' ' ' LEU . 15.8 mm-40 -132.93 -18.66 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.559 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 55.83 61.55 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.495 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -139.85 157.5 45.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.736 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 mt -139.94 128.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -146.7 166.61 26.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.547 HG22 ' N ' ' B' ' 80' ' ' GLN . 3.4 p -137.45 160.74 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.547 ' N ' HG22 ' B' ' 79' ' ' VAL . 2.7 pt20 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.484 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.613 0.244 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -51.71 118.71 4.7 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.56 2.173 . . . . 0.0 112.236 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -101.51 150.31 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.485 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -158.02 134.06 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.571 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.461 ' HE1' ' OD1' ' A' ' 8' ' ' ASP . 54.6 p90 -86.3 146.1 26.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.523 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -110.34 130.17 55.6 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.662 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' OD1' ' HE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -100.56 103.41 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.611 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.6 t -76.91 129.1 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.691 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -90.54 124.15 34.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.14 126.47 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 m -134.3 138.36 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.23 97.6 4.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 p -154.38 151.01 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.679 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.656 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -140.29 143.51 29.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.568 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . 77.74 158.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.62 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.87 -74.46 0.06 OUTLIER Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -138.11 145.0 41.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -138.87 130.23 27.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.67 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 21' ' ' SER . 6.1 p -98.23 158.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.517 ' N ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -94.45 130.53 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.7 t -142.97 133.39 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.868 ' NZ ' ' HB2' ' A' ' 25' ' ' ALA . 6.3 tmtm? -98.12 105.98 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.459 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 mt -111.9 120.07 61.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.66 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.868 ' HB2' ' NZ ' ' A' ' 23' ' ' LYS . . . -102.49 123.74 46.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.62 166.9 12.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.406 ' OG1' ' CG2' ' A' ' 33' ' ' VAL . 5.4 m -148.32 -50.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -95.62 17.01 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.435 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 53.9 16.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.01 -34.1 0.02 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -101.3 150.32 23.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.784 0.326 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 32' ' ' VAL . 14.1 p -107.63 108.15 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.384 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.406 ' CG2' ' OG1' ' A' ' 27' ' ' THR . 74.2 t -53.7 -59.6 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 p -148.84 163.75 36.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.595 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.4 m -133.15 146.12 32.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.629 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 113.77 13.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.945 0.402 . . . . 0.0 110.463 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.2 147.67 26.36 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.594 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.09 124.47 32.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -73.49 -28.28 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.69 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.84 -64.49 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -55.7 28.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.6 m -48.03 -41.57 25.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -65.47 -19.32 65.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.506 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -55.82 4.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.7 mp -46.97 -36.62 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.512 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.17 -26.62 72.53 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -76.44 -32.3 58.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.549 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -83.94 -40.61 18.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.681 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.9 p -84.97 -46.05 11.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.541 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.96 29.16 6.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mt -110.78 131.8 21.93 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.571 ' O ' HG23 ' A' ' 56' ' ' VAL . 71.1 Cg_exo -40.75 157.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 C-N-CA 121.862 1.708 . . . . 0.0 111.731 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -72.04 -57.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.314 2.009 . . . . 0.0 111.98 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.02 -37.85 7.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.601 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -68.89 -39.94 79.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.615 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 52' ' ' PRO . 61.3 t -77.78 -26.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.634 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -66.5 -43.08 86.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.97 -24.66 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.519 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.621 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -76.64 -43.55 37.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.486 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.4 t -75.94 -33.27 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -72.66 -43.19 63.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.453 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.13 77.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.444 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.42 -49.81 76.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.25 -23.61 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -74.2 -47.51 35.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -97.03 1.51 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 51.37 97.88 0.01 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.3 -155.19 8.22 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.692 ' CZ3' ' HB2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -136.79 169.23 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.567 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.621 HG21 ' SD ' ' A' ' 59' ' ' MET . 46.3 t -133.15 157.28 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -141.96 113.08 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' GLU . 10.0 mp -75.51 -22.1 57.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -43.18 -20.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -168.95 28.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.539 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 42.16 87.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.658 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -140.03 161.83 36.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.1 mt -137.04 125.75 35.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.692 ' HB2' ' CZ3' ' A' ' 69' ' ' TRP . 55.5 mttt -141.65 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.646 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 79' ' ' VAL . 2.5 p -141.07 -9.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.534 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.561 ' O ' HG12 ' B' ' 2' ' ' VAL . 76.9 t . . . . . 0 N--CA 1.467 0.385 0 CA-C-O 120.695 0.283 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -52.0 157.27 6.22 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.562 2.175 . . . . 0.0 112.041 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 3.1 p -167.12 131.86 2.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.47 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -170.16 149.09 3.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -77.04 142.07 40.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.696 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -110.14 157.58 19.24 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.17 109.36 11.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -82.15 119.61 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.514 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.605 HH22 HG11 ' B' ' 12' ' ' VAL . 0.8 OUTLIER -72.43 126.1 29.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.682 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.19 88.59 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.573 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.605 HG11 HH22 ' B' ' 10' ' ' ARG . 4.4 m -101.24 153.04 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.54 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.71 95.04 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.629 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 t -96.49 154.28 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.511 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.36 124.55 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.05 176.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.657 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.8 -136.75 3.29 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.26 126.18 34.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.314 . . . . 0.0 110.598 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.95 127.72 48.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.681 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.69 HG11 HG11 ' B' ' 60' ' ' VAL . 43.0 t -102.68 132.87 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.53 125.38 31.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.651 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 69.9 t -140.2 117.02 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.468 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.31 130.91 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.54 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.558 HG23 HG12 ' B' ' 35' ' ' VAL . 2.6 mt -137.03 132.26 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.726 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.06 99.09 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -100.32 147.78 25.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -99.83 -155.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.445 ' N ' ' OG1' ' B' ' 27' ' ' THR . 51.5 mt-10 -94.92 23.14 5.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -138.72 19.55 2.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.455 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.02 36.93 76.36 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -103.29 133.85 47.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.512 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.677 ' O ' HG13 ' B' ' 32' ' ' VAL . 7.2 p -107.64 89.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.481 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.66 HG13 ' N ' ' B' ' 34' ' ' THR . 7.3 p -49.02 -55.47 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.66 ' N ' HG13 ' B' ' 33' ' ' VAL . 1.4 m -151.15 163.6 38.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.595 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.558 HG12 HG23 ' B' ' 24' ' ' ILE . 18.1 m -134.08 149.97 30.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.499 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -132.64 85.02 2.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.43 114.43 9.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.431 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.439 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 0.4 OUTLIER -41.96 115.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.495 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -77.36 -10.13 59.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.633 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.73 -64.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.526 ' N ' ' OE2' ' B' ' 41' ' ' GLU . 1.6 mm-40 -60.4 -42.46 95.99 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.602 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 78.6 m -56.3 -38.75 71.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -56.17 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.409 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -47.14 -60.12 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.28 -20.25 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.51 -30.68 34.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.91 -36.99 84.91 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.847 0.356 . . . . 0.0 110.669 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.44 -25.27 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.689 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.744 HG22 HD21 ' B' ' 72' ' ' LEU . 71.9 p -85.06 -49.87 7.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.42 -23.52 33.94 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -85.72 156.74 58.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -39.35 157.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 122.355 2.036 . . . . 0.0 111.833 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.94 -56.79 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.379 2.052 . . . . 0.0 112.005 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -43.86 -50.35 7.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.623 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -47.02 -37.1 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.646 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 72.6 t -78.38 -38.05 22.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.745 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -55.28 -47.64 75.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.603 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.37 76.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' B' ' 59' ' ' MET . 14.3 tmm? -70.26 -43.19 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.597 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.69 HG11 HG11 ' B' ' 20' ' ' VAL . 84.4 t -76.88 -31.5 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.677 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -72.7 -51.69 18.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.557 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.66 -37.07 65.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -57.88 -63.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.12 -25.26 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -47.45 74.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -2.39 9.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.662 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 50.69 101.56 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.34 -153.11 6.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.539 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -127.54 162.26 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 110.461 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.455 HG12 ' N ' ' B' ' 71' ' ' ASP . 54.6 t -138.34 156.7 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.477 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.5 OUTLIER -135.68 113.17 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.415 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.744 HD21 HG22 ' B' ' 49' ' ' THR . 2.6 mp -72.2 -53.72 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -72.4 43.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' B' ' 72' ' ' LEU . 1.5 tm-20 -175.57 -23.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 58.51 70.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.521 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -138.82 147.44 42.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.461 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -140.55 119.19 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -138.11 167.01 22.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.43 ' O ' ' NE1' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -86.96 -176.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.539 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.675 ' O ' HG23 ' A' ' 2' ' ' VAL . 34.0 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.63 0.252 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.5 113.03 1.04 Allowed 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.74 2.294 . . . . 0.0 111.947 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 p -78.66 140.52 38.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.563 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -119.49 135.18 54.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.485 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -103.2 153.35 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -127.67 125.33 39.88 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -103.11 110.04 21.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.0 t -103.03 110.98 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -78.51 123.41 27.03 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.616 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -113.33 125.32 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.826 HG11 ' O ' ' B' ' 15' ' ' VAL . 15.3 m -133.26 168.34 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -155.71 95.28 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.438 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 15' ' ' VAL . 8.6 p -154.31 155.87 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.464 ' N ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -139.29 107.46 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.431 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.5 168.08 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.13 169.44 39.66 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -171.24 3.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.865 0.365 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -150.51 150.92 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.633 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.78 143.42 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.6 m -95.92 140.42 30.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 36' ' ' LYS . 65.7 t -137.6 139.13 43.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -105.95 129.27 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.463 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.551 HD11 ' HB1' ' A' ' 64' ' ' ALA . 15.0 mt -139.01 121.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.551 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.44 139.38 35.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.669 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -133.38 163.74 28.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.48 ' C ' ' H ' ' A' ' 29' ' ' GLU . 71.0 p -133.9 -76.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' OG1' ' A' ' 27' ' ' THR . 30.3 mt-10 -69.4 9.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.616 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.1 mt-10 60.23 13.29 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.18 -31.91 0.19 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.98 139.52 38.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.727 0.299 . . . . 0.0 110.658 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.694 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.2 p -107.56 105.59 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.697 HG13 ' H ' ' A' ' 34' ' ' THR . 7.4 p -52.17 -58.46 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.998 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.697 ' H ' HG13 ' A' ' 33' ' ' VAL . 88.7 m -151.21 163.46 38.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.779 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.573 ' N ' HG22 ' A' ' 34' ' ' THR . 16.4 m -132.42 143.39 40.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.443 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.489 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -128.31 167.7 16.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.7 179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.95 116.04 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.475 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.71 105.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 1.027 ' CD1' ' NH1' ' A' ' 43' ' ' ARG . 45.5 p90 -73.88 -12.69 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.56 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.57 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.556 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -58.44 -46.23 86.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.3 m -49.17 -37.92 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.675 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 1.027 ' NH1' ' CD1' ' A' ' 39' ' ' PHE . 6.4 mtm180 -73.2 -26.43 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.573 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 4.0 mm-40 -82.3 -30.8 30.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.7 mt -75.34 -21.24 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.22 -20.62 69.42 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.27 -19.84 45.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.835 0.35 . . . . 0.0 110.501 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 1.1 mp0 -79.3 -41.01 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -43.16 9.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.31 33.42 6.54 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 pt -125.49 147.71 58.93 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -38.04 157.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.187 1.925 . . . . 0.0 112.118 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' VAL . 56.3 Cg_endo -72.59 -49.87 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.285 1.99 . . . . 0.0 112.063 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -43.73 -45.7 7.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.4 -27.39 67.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' PRO . 40.5 t -82.95 -37.4 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -58.85 -49.69 76.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.365 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.41 81.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' A' ' 59' ' ' MET . 2.9 tmm? -62.06 -46.32 89.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.8 t -69.2 -34.0 61.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.57 -58.88 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.23 -31.96 1.72 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.493 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -63.13 -63.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.551 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -43.53 -23.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.732 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.442 HH11 HG13 ' A' ' 66' ' ' VAL . 1.3 tmm_? -76.33 -45.71 31.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.479 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.442 HG13 HH11 ' A' ' 65' ' ' ARG . 0.1 OUTLIER -99.85 0.76 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.683 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 40.88 94.49 0.01 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.87 -167.73 24.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 1.1 m0 -104.8 168.68 8.9 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.754 0.312 . . . . 0.0 110.543 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.0 t -147.1 136.64 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -102.21 115.88 31.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 74' ' ' GLU . 3.0 mp -63.74 -56.17 17.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -72.29 43.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.482 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -175.99 -17.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.36 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 47.22 64.96 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.504 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -136.02 153.43 51.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.486 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.2 mp -126.41 137.95 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.489 ' NZ ' ' CZ3' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -137.97 149.98 46.61 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.614 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.585 HG12 ' H ' ' A' ' 80' ' ' GLN . 2.7 t -60.27 -134.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.66 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.585 ' H ' HG12 ' A' ' 79' ' ' VAL . 15.1 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.52 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.625 HG22 ' O ' ' B' ' 2' ' ' VAL . 2.1 p . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -83.67 103.19 1.05 Allowed 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.681 2.254 . . . . 0.0 112.06 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -93.15 148.7 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.743 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -145.83 142.69 29.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -86.29 146.66 26.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -110.35 165.88 11.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.375 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -140.04 109.67 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.778 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 80.9 t -100.04 131.76 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.512 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -96.9 123.18 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.656 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.71 100.68 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 20.2 m -86.55 158.17 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.57 137.14 28.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.437 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -80.16 150.35 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.826 ' O ' HG11 ' A' ' 12' ' ' VAL . 7.7 p -140.12 137.53 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.43 169.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.461 ' HA3' HG12 ' A' ' 12' ' ' VAL . . . -163.99 -101.61 0.16 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.67 169.62 10.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.923 0.392 . . . . 0.0 110.51 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -141.56 123.9 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.348 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.677 HG11 HG11 ' B' ' 60' ' ' VAL . 60.5 t -102.0 139.58 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.467 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 8.2 t -101.39 132.44 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 85.4 t -133.61 147.04 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.52 129.18 56.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.1 mt -135.08 132.47 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.35 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.87 128.68 46.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.498 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -133.26 149.5 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.4 p -96.09 -167.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.687 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -99.47 21.64 11.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -132.23 36.16 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.18 60.09 6.45 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -138.51 124.03 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.445 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.632 ' O ' HG13 ' B' ' 32' ' ' VAL . 13.1 p -107.59 115.28 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.6 HG12 ' N ' ' B' ' 34' ' ' THR . 87.8 t -60.3 -98.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.445 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.6 ' N ' HG12 ' B' ' 33' ' ' VAL . 8.1 m -139.1 139.82 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.733 0.302 . . . . 0.0 110.624 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.65 141.58 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.458 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 101.6 5.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.535 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.16 159.93 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -83.61 120.68 26.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.463 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.75 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 35.0 p90 -77.06 -15.61 59.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.75 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 23.8 m-20 -72.09 -54.83 8.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.629 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.49 ' OE2' HG22 ' B' ' 20' ' ' VAL . 1.4 pp20? -65.77 -31.24 72.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' CYS . . . . . 0.444 ' SG ' ' OE1' ' B' ' 41' ' ' GLU . 0.5 OUTLIER -74.91 -18.63 60.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.579 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -80.84 -34.14 34.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.425 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.07 -33.97 26.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.557 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.486 HG21 HG11 ' B' ' 56' ' ' VAL . 1.9 tp -64.79 -26.85 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.551 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.61 -38.77 94.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.63 -28.06 69.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' B' ' 48' ' ' GLU . 2.1 mm-40 -81.39 -29.76 33.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.644 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 59.3 p -85.07 -49.65 8.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.54 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.75 14.69 33.75 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.54 156.6 70.36 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -38.96 157.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.498 2.132 . . . . 0.0 112.007 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -71.71 -57.1 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.396 2.064 . . . . 0.0 112.208 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -44.01 -53.36 6.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.709 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -43.84 -38.37 3.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.486 HG11 HG21 ' B' ' 45' ' ' ILE . 56.0 t -76.79 -43.74 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -52.65 -48.01 66.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.79 81.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.528 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.3 tmm? -70.93 -44.68 65.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.677 HG11 HG11 ' B' ' 20' ' ' VAL . 73.1 t -74.3 -31.47 28.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.793 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -66.12 -54.94 19.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.368 . . . . 0.0 110.358 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.19 -34.68 61.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -59.44 -62.3 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.661 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.56 -30.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.636 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -42.15 92.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.57 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -102.78 -4.53 9.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.737 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 49.24 93.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.69 -173.41 34.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.88 176.76 5.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.648 0.261 . . . . 0.0 110.693 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.416 HG12 ' N ' ' B' ' 71' ' ' ASP . 21.8 t -145.15 156.06 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.844 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.3 OUTLIER -133.21 113.05 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.181 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.89 -31.69 70.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -47.15 -24.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.489 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.66 -4.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.478 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' B' ' 71' ' ' ASP . 18.8 ttt-85 54.76 77.12 0.22 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.64 145.91 30.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.534 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.99 136.85 45.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.39 135.91 37.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.462 HG22 ' N ' ' B' ' 80' ' ' GLN . 3.4 p -49.43 156.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.423 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.462 ' N ' HG22 ' B' ' 79' ' ' VAL . 6.4 tp60 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.516 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.612 0.244 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.15 130.56 5.58 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.788 2.326 . . . . 0.0 112.286 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 p -138.66 141.7 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.56 147.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.608 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -84.94 139.76 31.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.609 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -110.5 131.69 54.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.373 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -100.2 112.34 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.718 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.503 HG11 HG23 ' B' ' 60' ' ' VAL . 59.3 t -83.64 139.17 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.489 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.41 123.36 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.597 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -115.48 93.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.133 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 12' ' ' VAL . 28.3 m -78.55 101.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.845 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.14 97.67 7.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.398 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -151.46 151.48 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.771 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.618 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.3 p -140.35 113.23 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 166.92 143.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.707 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.19 167.39 37.48 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -61.92 -178.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.494 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -141.42 127.74 19.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.638 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 21' ' ' SER . 94.7 t -95.76 153.35 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.678 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 20' ' ' VAL . 1.1 m -110.45 108.98 19.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.622 HG12 ' N ' ' A' ' 23' ' ' LYS . 59.2 t -115.65 165.26 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.622 ' N ' HG12 ' A' ' 22' ' ' VAL . 7.1 ttpt -130.23 97.5 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 24' ' ' ILE . 7.1 mt -99.81 132.26 45.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.641 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.669 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -102.69 111.17 23.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -104.5 155.05 19.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -80.22 0.52 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.23 -64.87 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.676 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -174.53 -36.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.13 43.43 1.52 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -137.73 120.8 16.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.68 126.83 65.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.986 HG13 ' H ' ' A' ' 34' ' ' THR . 2.2 p -88.66 -88.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.986 ' H ' HG13 ' A' ' 33' ' ' VAL . 28.8 p -126.53 130.55 50.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.545 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 m -100.91 142.49 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.463 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -132.73 116.01 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.598 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.1 130.67 48.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.8 124.9 17.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.623 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 33.0 p90 -78.07 -11.96 59.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.6 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -77.66 -56.22 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.66 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -60.75 -37.37 81.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.2 m -65.51 -37.94 88.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.676 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -77.64 -42.45 34.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.472 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.03 -24.11 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.631 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -80.4 -34.63 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.451 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.9 -18.81 57.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -78.04 -19.92 53.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.301 . . . . 0.0 110.508 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -89.09 -33.5 17.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.3 p -88.57 -50.17 6.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.94 33.91 6.43 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.691 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.53 155.34 72.18 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -35.64 100.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.612 2.208 . . . . 0.0 112.427 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.8 -24.44 10.08 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.183 1.922 . . . . 0.0 112.012 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -61.72 -55.69 27.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.598 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.93 -46.15 78.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.1 t -43.99 -43.46 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -63.34 -51.06 67.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.77 65.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.524 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 59' ' ' MET . 4.9 tmm? -84.64 -46.88 11.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.57 -25.88 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.548 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.51 -57.27 4.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.379 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.97 -38.01 34.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.482 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -61.73 -59.91 4.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.598 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.61 -23.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 63' ' ' ALA . 1.3 ttm-85 -73.88 -46.31 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.491 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -100.0 -0.72 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.469 -179.771 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.91 94.94 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.23 -147.14 4.51 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.431 ' CD1' ' OE2' ' B' ' 74' ' ' GLU . 0.0 OUTLIER -131.79 157.97 42.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.727 0.299 . . . . 0.0 110.476 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.556 HG22 HG23 ' A' ' 77' ' ' ILE . 86.7 t -136.57 139.7 44.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.691 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.78 113.1 23.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.408 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 74' ' ' GLU . 5.3 mp -73.26 -48.47 34.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -75.03 27.42 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.6 mt-10 -156.37 -17.05 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 57.44 64.09 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.476 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -139.0 149.32 44.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.556 HG23 HG22 ' A' ' 70' ' ' VAL . 13.2 mt -136.72 85.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.451 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -77.12 127.42 32.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.638 HG23 ' N ' ' A' ' 80' ' ' GLN . 6.8 m -59.37 -144.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.713 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.638 ' N ' HG23 ' A' ' 79' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.614 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.579 0.228 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.81 104.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.462 2.108 . . . . 0.0 112.223 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -172.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.625 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -172.63 147.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -101.67 142.26 33.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.534 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -117.55 128.08 54.61 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.64 112.93 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.4 126.99 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -98.91 123.43 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.475 ' O ' ' NE2' ' B' ' 13' ' ' GLN . 2.5 t -120.84 105.34 16.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.345 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 16' ' ' ALA . 3.6 m -96.49 130.18 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.604 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.494 ' N ' ' OE1' ' B' ' 13' ' ' GLN . 0.8 OUTLIER -129.72 96.5 4.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.606 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 p -154.53 155.57 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.63 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 8.8 p -140.31 111.43 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 164.87 153.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.76 -174.57 42.43 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -177.45 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -138.44 115.4 10.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -103.09 116.06 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.633 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.7 t -70.94 126.42 29.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -132.32 130.63 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -102.75 125.13 49.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.559 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mt -135.85 120.29 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.643 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.86 101.49 13.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -101.97 148.8 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.478 ' C ' ' H ' ' B' ' 29' ' ' GLU . 61.2 p -101.56 -83.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -75.25 26.3 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' B' ' 27' ' ' THR . 18.3 tp10 49.24 39.27 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.61 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.26 -38.55 0.02 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -101.79 136.52 41.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.816 0.341 . . . . 0.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.587 ' O ' HG13 ' B' ' 32' ' ' VAL . 4.6 p -107.39 89.13 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.619 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.644 HG23 ' N ' ' B' ' 34' ' ' THR . 30.4 m -41.94 -49.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.759 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.644 ' N ' HG23 ' B' ' 33' ' ' VAL . 88.4 m -151.08 162.51 40.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.684 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.572 ' N ' HG22 ' B' ' 34' ' ' THR . 0.8 OUTLIER -151.26 129.88 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.343 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -132.79 102.2 5.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.735 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' B' ' 39' ' ' PHE . . . -77.78 128.97 34.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -41.57 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.417 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.52 ' CG ' ' N ' ' B' ' 40' ' ' ASP . 30.0 p90 -58.75 -49.0 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.681 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.52 ' N ' ' CG ' ' B' ' 39' ' ' PHE . 0.0 OUTLIER -43.53 -64.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.543 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.29 -58.09 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -42.79 6.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -73.88 -56.6 4.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.92 -26.62 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -83.69 -37.99 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.63 -31.91 5.4 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.06 -38.08 85.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 110.489 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -75.47 -19.15 59.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 46.4 p -91.55 -50.21 5.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.59 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.99 19.58 46.44 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.41 156.32 70.43 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -35.49 100.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.994 2.462 . . . . 0.0 112.327 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.85 -21.62 2.69 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.014 1.809 . . . . 0.0 112.054 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -67.68 -50.75 56.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.16 -29.89 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.445 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.05 -36.3 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.333 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -67.52 -53.56 27.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.461 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.38 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.537 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.3 tmm? -76.46 -57.23 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.537 ' N ' ' SD ' ' B' ' 59' ' ' MET . 2.6 p -70.16 -6.21 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.672 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -83.32 -60.35 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.287 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.53 -37.85 58.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -64.47 -56.74 12.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.591 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.57 -26.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -45.26 43.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.592 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.409 HG23 ' H ' ' B' ' 66' ' ' VAL . 0.0 OUTLIER -97.5 1.72 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 46.68 96.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.13 -161.31 10.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -127.57 153.04 46.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.557 0.218 . . . . 0.0 110.556 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -128.42 151.67 35.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' B' ' 71' ' ' ASP . 0.0 OUTLIER -120.15 113.22 20.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.149 179.674 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.5 mp -77.6 -57.58 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.983 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -66.95 7.63 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.821 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.4 mm-40 -142.25 -4.27 1.03 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 110.597 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' B' ' 71' ' ' ASP . 10.8 mmt180 42.35 82.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.669 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -150.93 150.78 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 22.7 mt -137.77 100.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -106.92 140.2 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.597 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.408 ' H ' HG23 ' B' ' 79' ' ' VAL . 0.2 OUTLIER -85.54 175.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.64 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 -179.921 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.372 0.129 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -83.57 105.91 1.26 Allowed 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.841 2.361 . . . . 0.0 112.106 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.6 m -63.27 -179.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -139.65 135.56 33.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -103.28 152.71 21.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -135.02 151.06 50.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.647 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.05 125.68 53.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.542 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -103.12 110.84 30.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.608 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' B' ' 70' ' ' VAL . 15.0 ttm180 -64.23 127.49 31.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.83 108.69 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.641 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.64 131.58 53.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.572 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.72 95.41 4.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.258 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 p -154.02 133.51 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.585 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 15' ' ' VAL . 14.9 p -135.99 114.33 15.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.491 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 165.21 -177.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.452 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.98 174.02 16.82 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.55 -177.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.502 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -138.64 132.54 31.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.614 HG13 ' CD ' ' A' ' 41' ' ' GLU . 84.0 t -102.26 153.77 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.556 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -99.83 117.25 33.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.629 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.62 156.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.647 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -137.52 128.29 27.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.572 ' CG2' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -136.25 148.26 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.548 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.597 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -121.01 119.07 31.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -103.5 145.24 30.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 29' ' ' GLU . 41.3 p -104.35 -177.89 3.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.461 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -79.15 26.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.621 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.6 tt0 -132.21 16.68 4.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.7 23.18 43.11 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -104.74 151.92 23.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.609 ' O ' HG13 ' A' ' 32' ' ' VAL . 13.7 p -107.56 118.37 55.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.899 HG13 ' H ' ' A' ' 34' ' ' THR . 2.6 p -68.67 -99.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.428 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.899 ' H ' HG13 ' A' ' 33' ' ' VAL . 29.3 p -119.81 135.04 55.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.769 0.319 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.572 HG12 ' CG2' ' A' ' 24' ' ' ILE . 3.6 m -101.88 124.01 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.634 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -104.22 138.91 40.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.72 148.14 41.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.529 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.63 113.96 13.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.441 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -67.68 -16.47 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -64.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.752 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.614 ' CD ' HG13 ' A' ' 20' ' ' VAL . 1.7 pp20? -56.82 -25.95 57.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 93.1 m -72.87 -44.78 60.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -73.45 -52.59 13.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -44.97 -59.72 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.56 -30.86 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.66 -19.92 7.12 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -85.53 -25.83 26.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.652 0.263 . . . . 0.0 110.499 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.24 -29.63 66.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.3 p -89.91 -50.23 6.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.13 29.23 8.1 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.223 -0.513 . . . . 0.0 111.882 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.61 155.81 71.69 Favored Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -35.16 99.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.721 2.281 . . . . 0.0 112.364 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -50.69 -12.63 0.6 Allowed 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.206 1.937 . . . . 0.0 112.05 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -71.44 -44.94 63.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.717 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -65.69 -47.06 76.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.023 0.44 . . . . 0.0 110.679 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.5 t -46.85 -50.5 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.616 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -53.12 -54.95 28.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -20.61 66.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -72.68 -43.36 63.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.612 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.8 t -63.0 -55.63 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -43.5 -55.52 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.35 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.59 -43.81 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.453 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -63.1 -58.05 8.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -46.17 -24.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.626 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 ttm-85 -72.06 -46.91 55.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.503 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.06 6.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.558 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.16 83.23 0.02 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.41 -164.25 11.31 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.474 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -116.96 167.88 10.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.334 . . . . 0.0 110.62 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -131.29 145.62 35.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.637 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.433 ' OD1' ' CZ2' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -134.76 112.97 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 74' ' ' GLU . 8.2 mp -72.32 -24.6 61.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.15 -9.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.527 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.3 mm-40 -175.08 18.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.625 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 43.65 84.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -139.15 131.38 28.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.359 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.78 132.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.586 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -163.34 153.93 16.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.7 p -54.15 147.2 2.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.608 179.855 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.528 0.116 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.01 110.13 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.516 2.144 . . . . 0.0 112.067 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.66 137.79 48.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.487 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -163.64 147.47 10.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.586 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -79.09 147.27 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.631 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -110.25 167.78 9.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.523 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.71 88.61 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.678 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.8 t -74.25 130.66 35.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.501 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.17 123.17 38.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.69 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.0 t -107.2 130.31 59.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.629 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -134.31 160.94 41.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.82 94.96 1.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.608 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.8 p -154.35 137.43 7.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 11.4 p -129.92 115.93 35.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.667 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 164.86 177.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.69 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.7 160.59 8.58 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.92 178.59 2.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.825 0.345 . . . . 0.0 110.452 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -150.86 131.66 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.556 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.93 151.11 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.433 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.8 t -101.31 113.13 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.655 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.477 HG12 ' N ' ' B' ' 23' ' ' LYS . 89.5 t -103.74 156.52 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.428 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.477 ' N ' HG12 ' B' ' 22' ' ' VAL . 9.8 tttm -124.41 122.14 36.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.493 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.0 mt -130.23 121.46 51.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.616 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.525 ' HB3' ' CG1' ' B' ' 33' ' ' VAL . . . -89.75 130.52 36.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.5 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -133.38 141.07 47.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.9 p -98.07 -177.44 3.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.758 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.42 20.87 1.01 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.366 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -119.13 2.19 11.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.469 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.31 18.79 79.45 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -99.34 135.02 41.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.406 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -107.62 125.91 63.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.952 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -73.02 -97.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.349 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.952 ' H ' HG13 ' B' ' 33' ' ' VAL . 2.0 t -138.33 147.82 43.94 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.656 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 p -94.28 142.16 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.608 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -132.77 94.18 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.331 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.06 125.33 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -47.68 98.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -56.1 -18.34 9.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -64.63 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.487 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -57.32 -38.18 73.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 22.1 m -57.03 -43.76 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.634 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -41.08 92.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -70.44 -26.37 63.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -77.38 -28.71 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.73 -22.43 33.14 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -77.99 -25.35 47.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -85.41 -29.67 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.507 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.423 HG22 ' CD2' ' B' ' 72' ' ' LEU . 59.8 p -90.0 -48.48 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.468 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.4 -26.38 24.4 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.4 156.22 85.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.31 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -38.82 157.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.402 2.068 . . . . 0.0 111.805 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -71.49 -58.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.391 0 C-N-CA 122.333 2.022 . . . . 0.0 112.123 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 -47.71 11.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -48.12 -28.45 2.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.573 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 t -81.45 -42.79 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -46.15 -54.84 7.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.56 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.23 -58.49 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.473 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -44.0 -40.33 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.581 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 34.1 t -73.41 -45.6 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.2 -44.15 97.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.458 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.64 -47.67 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.355 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.471 ' HB1' ' HA2' ' B' ' 68' ' ' GLY . . . -55.35 -63.52 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.58 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.38 -20.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.71 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' B' ' 63' ' ' ALA . 17.0 ttp180 -77.96 -43.36 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.038 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.88 -9.35 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.5 -93.38 0.12 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.471 ' HA2' ' HB1' ' B' ' 63' ' ' ALA . . . 159.11 72.49 0.02 OUTLIER Glycine 0 CA--C 1.528 0.898 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.187 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.402 ' HB3' ' H ' ' B' ' 78' ' ' LYS . 1.3 t-105 -141.93 136.83 30.81 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.16 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' ARG . 12.1 t -137.34 132.92 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -134.86 112.83 10.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.1 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.423 ' CD2' HG22 ' B' ' 49' ' ' THR . 5.7 mp -89.01 -18.17 27.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.685 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 pttm -49.16 -18.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.327 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -165.49 14.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.506 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 57.44 87.18 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -143.98 167.96 21.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.418 HD13 HG21 ' B' ' 77' ' ' ILE . 0.5 OUTLIER -136.0 134.2 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.493 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 78' ' ' LYS . . . . . 0.402 ' H ' ' HB3' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -139.81 174.85 10.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.878 0.371 . . . . 0.0 111.013 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.61 144.06 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.448 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.51 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.755 0.312 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -52.34 145.02 37.61 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.716 2.278 . . . . 0.0 112.144 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.97 114.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.516 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -168.41 155.94 7.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.47 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -76.82 138.67 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.483 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -110.22 128.84 55.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.468 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.53 116.34 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.687 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t -84.41 140.92 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' NH2' ' HB2' ' B' ' 16' ' ' ALA . 3.1 mmm180 -87.91 123.25 32.47 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.729 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.98 127.17 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.187 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.691 HG22 ' HE1' ' B' ' 69' ' ' TRP . 1.4 m -129.79 168.41 22.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.446 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -124.13 130.64 52.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.18 118.86 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.584 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.79 143.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.482 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.07 162.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.79 -104.75 0.2 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.19 160.21 24.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.714 0.292 . . . . 0.0 110.599 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -140.15 123.8 17.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.668 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.589 HG13 ' CD ' ' A' ' 41' ' ' GLU . 69.3 t -100.87 147.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.491 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.09 133.12 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t -137.68 130.51 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -104.02 126.41 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.47 138.74 51.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.404 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.59 100.98 12.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.605 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -103.35 134.86 46.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.473 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -90.32 179.87 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.52 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.95 10.5 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -111.46 -14.22 13.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.72 22.69 32.89 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -103.79 155.69 18.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.754 0.312 . . . . 0.0 110.471 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.702 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.2 p -119.7 94.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.683 HG23 ' N ' ' A' ' 34' ' ' THR . 35.5 m -50.79 -57.1 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.792 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.683 ' N ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -151.12 163.49 38.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.809 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -128.44 138.15 55.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -132.8 126.4 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.16 125.81 51.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -44.19 111.13 0.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.538 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.86 ' HD1' ' HD2' ' A' ' 43' ' ' ARG . 39.9 p90 -73.32 -18.49 61.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.513 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -64.26 0.92 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.752 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.589 ' CD ' HG13 ' A' ' 20' ' ' VAL . 3.1 pp20? -58.47 -31.73 68.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.653 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.445 ' SG ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -77.37 -18.98 56.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.604 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.86 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 3.2 mtt180 -81.91 -33.05 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.16 -26.14 33.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 49' ' ' THR . 1.0 OUTLIER -82.98 -21.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.537 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.42 51.08 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -52.09 15.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.805 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.88 -9.14 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 45' ' ' ILE . 26.6 p -101.42 -37.75 8.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -26.64 23.52 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -97.11 154.11 38.26 Favored Pre-proline 0 C--N 1.331 -0.207 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.346 179.801 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -58.56 164.06 9.81 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.379 2.053 . . . . 0.0 112.012 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.18 -46.76 2.01 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.618 2.212 . . . . 0.0 112.154 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -48.01 -34.89 10.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.569 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.64 -51.27 17.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.59 -38.66 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.709 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -58.0 -44.92 87.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.652 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.53 -24.35 64.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.423 ' C ' ' SD ' ' A' ' 59' ' ' MET . 10.8 tmm? -78.19 -54.31 6.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.619 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.66 -21.75 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.768 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.6 tm-20 -66.51 -62.03 1.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -54.21 -31.01 51.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -62.45 -63.4 1.24 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.788 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.7 -29.15 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -43.15 75.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -101.59 -1.55 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.776 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.69 94.81 0.01 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.7 -147.39 4.79 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.588 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -124.26 162.82 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 0.0 110.369 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 t -144.77 133.9 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.661 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ARG . 9.3 m-20 -103.83 112.69 25.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.319 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' A' ' 74' ' ' GLU . 1.9 tp -69.18 -29.9 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.354 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 10.81 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.635 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -166.23 1.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.58 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' ASP . 4.1 ttt-85 41.44 55.02 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.522 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -113.83 148.38 36.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.82 115.45 45.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -142.6 142.93 32.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 80' ' ' GLN . 9.7 p -94.53 155.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.641 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.453 ' N ' HG22 ' A' ' 79' ' ' VAL . 55.0 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.441 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.716 0.293 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -51.87 102.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.687 2.258 . . . . 0.0 112.074 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -166.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.672 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.85 125.55 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.483 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -87.74 152.03 22.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.45 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -136.39 140.91 43.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.426 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -109.88 85.27 2.07 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.95 133.75 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.746 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -96.35 124.42 40.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.651 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -122.05 105.16 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.409 ' O ' HG23 ' B' ' 12' ' ' VAL . 3.2 m -94.76 134.14 33.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.739 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.64 95.1 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.207 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -137.62 149.38 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.693 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.446 HG13 ' O ' ' B' ' 15' ' ' VAL . 14.6 p -119.82 129.52 75.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.689 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.478 ' HB2' ' NH2' ' A' ' 10' ' ' ARG . . . 51.71 -176.97 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.621 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.7 -82.32 0.08 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -89.52 166.26 13.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.346 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -149.37 111.8 4.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.62 HG11 HG21 ' B' ' 60' ' ' VAL . 7.1 p -106.84 154.86 7.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.45 ' N ' HG22 ' B' ' 20' ' ' VAL . 0.3 OUTLIER -101.99 140.56 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.685 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.1 t -142.68 118.56 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -83.85 126.47 32.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.457 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.632 HD11 ' HB1' ' B' ' 64' ' ' ALA . 2.0 mt -137.96 129.26 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.545 ' HB3' ' CG1' ' B' ' 33' ' ' VAL . . . -101.66 139.84 36.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -133.57 154.65 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.656 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 44.7 p -128.72 -72.68 0.6 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.573 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.478 ' N ' ' OG1' ' B' ' 27' ' ' THR . 1.9 mt-10 -78.32 20.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 52.17 12.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' B' ' 28' ' ' GLU . . . -137.8 -34.58 0.19 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -101.55 130.3 47.81 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.542 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.434 ' O ' HG13 ' B' ' 32' ' ' VAL . 10.2 p -107.55 129.53 61.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.719 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.928 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -65.73 -94.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.928 ' H ' HG13 ' B' ' 33' ' ' VAL . 4.2 t -135.65 137.63 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.461 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.43 143.43 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.629 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -132.51 102.15 5.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.54 150.5 38.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.656 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -72.55 119.66 17.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.795 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 32.8 p90 -78.15 -13.44 59.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.795 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 53.6 m-20 -77.63 -64.45 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 29.4 mt-10 -56.49 -34.19 66.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 99.1 m -69.59 -38.44 77.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.621 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -69.38 -48.89 59.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.62 -61.44 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.541 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.08 -20.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.618 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.11 -18.74 79.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -86.45 -54.54 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 110.774 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.61 -10.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.687 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 28.9 p -110.05 -44.57 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.62 30.13 5.67 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.74 156.42 71.12 Favored Pre-proline 0 C--N 1.332 -0.189 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.92 161.87 43.91 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.333 2.022 . . . . 0.0 111.942 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.97 -48.31 0.38 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.583 2.189 . . . . 0.0 112.181 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -44.04 -49.68 8.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.718 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -52.02 -35.61 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.457 ' O ' HG12 ' B' ' 60' ' ' VAL . 12.1 t -83.37 -47.39 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -45.89 -43.62 13.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.54 -62.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.994 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.4 tmm? -45.63 -44.0 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.62 HG21 HG11 ' B' ' 20' ' ' VAL . 1.2 p -72.93 -28.38 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.97 -62.08 1.53 Allowed 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.367 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.11 -31.68 8.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.281 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -69.58 -30.87 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.7 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.632 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -71.31 -20.56 62.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ARG . . . . . 0.541 HH22 HG21 ' B' ' 24' ' ' ILE . 1.9 mmp_? -81.41 -40.27 23.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -18.58 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 51.88 91.22 0.01 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.78 -123.79 2.0 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.691 ' HE1' HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -153.24 140.52 19.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.61 0.243 . . . . 0.0 110.446 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.628 ' N ' ' CD1' ' B' ' 69' ' ' TRP . 47.9 t -130.53 157.78 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.497 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.5 OUTLIER -112.63 128.48 56.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.963 179.393 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' B' ' 74' ' ' GLU . 6.8 mt -84.08 -50.66 7.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.939 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 16.6 0.46 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.0 mm-40 -148.51 -10.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.554 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 41.18 60.17 2.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.67 139.45 47.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.0 mt -103.43 126.8 57.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -139.12 179.27 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.706 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 45.7 t -127.93 142.89 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.657 ' O ' HG13 ' A' ' 2' ' ' VAL . 7.4 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.648 0.261 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.94 99.92 0.93 Allowed 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.662 2.242 . . . . 0.0 112.27 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.12 134.82 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.588 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -151.6 147.54 26.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -82.49 136.62 34.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.459 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -110.29 131.09 55.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.458 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.05 105.47 17.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.1 t -84.87 129.02 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -83.0 132.83 35.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.746 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t -124.98 100.45 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.337 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.6 m -99.56 96.2 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.527 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.673 ' OE1' HD22 ' B' ' 72' ' ' LEU . 1.0 OUTLIER -101.09 95.05 6.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 179.707 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 14' ' ' VAL . 9.0 p -154.53 129.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.664 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 7.4 p -137.21 107.79 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.496 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 163.4 151.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.581 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.48 -164.28 32.23 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.45 -177.2 1.74 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 0.0 110.559 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -138.0 120.05 15.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.532 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.515 HG22 ' OE2' ' A' ' 41' ' ' GLU . 59.3 t -104.03 139.48 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -101.44 109.12 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.22 159.74 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -137.6 115.57 11.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.482 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.4 mt -131.42 139.3 51.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.568 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.14 137.46 41.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.41 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -133.42 147.15 51.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.6 p -105.51 -60.32 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.596 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' C ' ' H ' ' A' ' 30' ' ' GLY . 4.3 tt0 -98.89 15.47 25.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 60.58 2.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -110.96 -45.65 0.87 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -99.89 161.01 13.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.363 . . . . 0.0 110.591 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.705 ' O ' HG13 ' A' ' 32' ' ' VAL . 11.2 p -126.83 105.47 14.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.433 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.713 HG13 ' H ' ' A' ' 34' ' ' THR . 7.5 p -52.82 -59.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.814 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.713 ' H ' HG13 ' A' ' 33' ' ' VAL . 2.7 p -148.13 163.49 36.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.627 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.8 m -129.14 138.26 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.446 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -132.35 163.71 28.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.1 155.69 38.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.28 114.82 11.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.463 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -74.75 -14.3 60.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.36 -64.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.545 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.515 ' OE2' HG22 ' A' ' 20' ' ' VAL . 1.7 pp20? -54.24 -33.43 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.57 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -47.27 76.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -70.45 -41.18 73.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.649 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.04 -42.66 85.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.65 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.7 mt -83.48 -20.01 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -53.39 -18.7 7.48 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -83.55 -32.2 25.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.572 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 10.3 tt0 -71.15 -28.89 64.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -84.79 -49.83 8.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.98 -18.96 51.08 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.58 156.87 56.0 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.398 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -38.43 157.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.426 2.084 . . . . 0.0 111.71 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.79 -59.44 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 122.343 2.029 . . . . 0.0 112.162 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -49.13 -41.94 37.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -48.64 -33.75 10.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.54 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 60' ' ' VAL . 18.3 t -79.33 -36.69 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.618 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -58.27 -54.7 44.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.47 83.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.442 ' SD ' HG21 ' A' ' 70' ' ' VAL . 12.0 tmm? -64.14 -36.97 85.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.697 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 56' ' ' VAL . 41.8 t -67.71 -63.82 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -43.64 -38.68 3.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.364 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.6 -47.28 79.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.689 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -56.69 -51.43 68.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.539 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.92 -30.23 4.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -46.87 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.51 5.72 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.11 75.47 0.12 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.52 -154.07 6.35 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -124.97 176.61 6.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.442 HG21 ' SD ' ' A' ' 59' ' ' MET . 10.0 t -135.32 132.77 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.71 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.27 113.04 25.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.589 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 74' ' ' GLU . 4.2 mp -76.02 -33.99 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.589 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -42.82 -20.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' LEU . 2.9 tp10 -158.19 19.98 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 42.57 89.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -145.84 164.58 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 mt -138.75 123.41 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.651 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.24 157.85 45.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.14 139.84 18.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.538 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.451 HG22 ' O ' ' B' ' 2' ' ' VAL . 1.7 p . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 111.236 0.087 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.0 96.47 0.74 Allowed 'Trans proline' 0 N--CA 1.487 1.092 0 C-N-CA 122.221 1.947 . . . . 0.0 112.198 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.22 147.34 48.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.467 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -137.6 150.65 47.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -100.37 149.07 24.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.3 -179.98 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.506 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.94 87.76 1.57 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.567 HG12 ' N ' ' B' ' 10' ' ' ARG . 73.7 t -83.68 161.72 3.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.567 ' N ' HG12 ' B' ' 9' ' ' VAL . 3.3 tpp180 -128.01 123.36 34.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -105.93 101.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.412 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 16' ' ' ALA . 5.8 m -93.07 139.59 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -145.69 95.12 2.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.592 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -154.41 155.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.617 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 8.5 p -131.48 123.55 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.564 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 165.7 160.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.517 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.7 165.89 26.85 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -94.18 -168.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 110.648 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -145.98 124.25 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.75 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.74 119.4 57.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.7 t -78.38 138.62 38.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.633 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.0 t -133.52 122.11 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.475 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -81.84 104.55 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.647 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.403 HD11 ' HB1' ' B' ' 64' ' ' ALA . 44.1 mt -107.01 148.4 11.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.414 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.86 119.8 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -103.02 152.92 20.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.387 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -133.47 -44.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.691 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -101.17 8.87 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 53.4 60.38 3.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 169.96 -13.18 0.05 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -139.46 154.9 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.686 0.279 . . . . 0.0 110.575 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.507 HG11 ' HG3' ' B' ' 65' ' ' ARG . 2.0 p -107.56 94.77 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.482 ' H ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -43.39 -51.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.187 0.518 . . . . 0.0 110.703 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.09 163.59 38.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.53 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 p -151.22 143.2 16.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.524 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -132.8 99.61 4.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.79 138.49 39.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.637 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.48 118.1 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 1.11 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 33.2 p90 -74.75 -30.46 61.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.622 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 1.11 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 25.7 m-20 -66.84 -64.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -50.83 -31.7 17.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 52.0 m -74.79 -38.21 62.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -79.05 -55.83 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.469 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.92 -52.33 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.449 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.64 ' O ' HG23 ' B' ' 49' ' ' THR . 77.8 mt -74.79 -35.54 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.372 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.51 -22.85 8.42 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -77.55 -54.15 6.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.981 0.419 . . . . 0.0 110.512 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -62.37 -21.72 65.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.64 HG23 ' O ' ' B' ' 45' ' ' ILE . 68.5 p -84.63 -39.07 19.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.612 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.36 33.6 31.41 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 mt -125.4 132.6 24.35 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' B' ' 54' ' ' ARG . 90.2 Cg_exo -37.99 102.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 122.225 1.95 . . . . 0.0 112.207 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -46.73 -10.76 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.165 1.91 . . . . 0.0 112.137 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' B' ' 52' ' ' PRO . 40.3 ttt85 -69.38 -54.9 12.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.227 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -66.54 -39.56 88.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -50.23 -41.97 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -64.09 -45.94 86.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.85 -21.48 64.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.674 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.8 tmm? -76.22 -58.83 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.515 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.583 ' N ' ' SD ' ' B' ' 59' ' ' MET . 2.2 p -66.09 -11.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.602 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -82.03 -56.48 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.349 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.09 -37.56 21.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -63.21 -58.15 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.553 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.403 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -43.53 -24.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.498 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ARG . . . . . 0.507 ' HG3' HG11 ' B' ' 32' ' ' VAL . 3.6 ttp180 -75.79 -45.32 36.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -101.54 6.93 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.584 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 48.6 100.52 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.1 176.24 40.11 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.511 ' CD2' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -101.02 173.86 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.87 0.367 . . . . 0.0 110.676 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.553 HG12 ' N ' ' B' ' 71' ' ' ASP . 49.3 t -135.67 162.44 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.57 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.553 ' N ' HG12 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -150.85 112.96 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.673 HD22 ' OE1' ' A' ' 13' ' ' GLN . 5.7 mp -79.46 -20.08 48.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.87 -32.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.386 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.39 30.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.476 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 47.78 83.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.655 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -140.03 159.46 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 10.2 mt -143.72 107.78 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.501 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -84.77 117.74 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.492 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.667 HG12 ' H ' ' B' ' 80' ' ' GLN . 2.4 t -69.92 -139.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.667 ' H ' HG12 ' B' ' 79' ' ' VAL . 12.8 mm-40 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.514 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 t . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.655 0.264 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.78 138.61 50.43 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.537 2.158 . . . . 0.0 111.996 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.67 139.57 7.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.591 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -169.54 147.96 3.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.658 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -77.2 136.95 38.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.398 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -110.39 154.43 23.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.291 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.519 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -126.67 87.47 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.534 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.2 t -78.31 110.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.525 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -91.59 123.45 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.646 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -104.16 111.0 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.337 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 12' ' ' VAL . 19.5 m -100.18 113.45 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.644 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.09 98.82 6.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 p -154.67 152.51 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.577 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.662 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -140.61 119.68 11.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.595 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 163.4 154.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.612 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.23 -174.26 44.36 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -168.18 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.617 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -139.37 119.51 13.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.514 HG13 ' CD ' ' A' ' 41' ' ' GLU . 97.1 t -101.65 154.62 4.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.625 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.426 ' N ' HG12 ' A' ' 20' ' ' VAL . 13.3 t -113.92 136.92 52.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 36' ' ' LYS . 67.0 t -138.59 153.56 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' N ' HG12 ' A' ' 22' ' ' VAL . 5.8 ttpt -126.76 103.61 7.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.703 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 24' ' ' ILE . 11.0 mt -101.73 123.27 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.381 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.16 36.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -107.02 150.87 26.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.476 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.484 ' C ' ' H ' ' A' ' 29' ' ' GLU . 4.3 p -114.53 -102.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.494 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.14 19.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.5 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 27' ' ' THR . 14.5 tt0 60.59 44.11 11.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.0 -46.67 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -139.39 155.18 47.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.562 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -107.39 114.72 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.46 -43.66 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.266 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.472 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 92.8 m -151.28 150.14 30.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.707 0.289 . . . . 0.0 110.986 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.18 109.95 27.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.463 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.576 ' O ' HG13 ' A' ' 22' ' ' VAL . 2.1 mptt -82.9 170.36 15.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.751 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.44 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -156.28 20.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 38' ' ' GLU . 0.3 OUTLIER 47.04 96.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.451 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -68.94 -15.5 63.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -75.93 -63.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.514 ' CD ' HG13 ' A' ' 20' ' ' VAL . 1.3 pp20? -56.46 -25.53 51.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.485 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 94.1 m -74.57 -37.74 62.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -74.5 -30.2 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -75.54 -39.73 57.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.621 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -69.33 -30.42 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -49.34 -24.07 4.84 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.61 -28.7 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -81.43 -32.23 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.853 HG22 HD21 ' A' ' 72' ' ' LEU . 20.0 p -85.48 -50.01 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.544 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.89 -26.13 25.78 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -79.9 156.4 74.82 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.335 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -40.06 158.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 122.216 1.944 . . . . 0.0 111.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.57 -51.94 0.15 Allowed 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.277 1.985 . . . . 0.0 112.183 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -38.48 3.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.599 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.31 -52.58 62.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.706 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.8 t -65.22 -48.17 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.717 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -45.92 -54.79 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.727 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.67 -20.13 66.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -59.9 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.487 HG11 HG11 ' A' ' 20' ' ' VAL . 67.0 t -65.93 -15.25 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.799 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -75.0 -63.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.52 -47.02 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -54.51 -59.79 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.62 -23.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.526 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 63' ' ' ALA . 0.8 OUTLIER -75.47 -41.8 54.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.521 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -110.5 11.4 8.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.16 94.1 0.01 OUTLIER Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.16 -167.83 11.74 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 2.1 m95 -109.12 144.84 36.64 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -107.79 142.64 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -132.86 117.49 17.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.075 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.853 HD21 HG22 ' A' ' 49' ' ' THR . 1.8 mp -84.4 -57.81 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.004 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' B' ' 14' ' ' VAL . 14.5 mmtt -66.44 6.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.2 mt-10 -138.48 -10.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 41.65 56.18 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 77' ' ' ILE . 16.3 tp10 -140.58 148.13 40.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.503 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.496 ' H ' ' CD ' ' A' ' 76' ' ' GLU . 4.6 mt -118.36 102.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -68.48 124.41 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 80' ' ' GLN . 11.3 p -75.01 154.73 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.393 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.439 ' N ' HG22 ' A' ' 79' ' ' VAL . 20.6 tt0 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.4 ' O ' HG12 ' B' ' 2' ' ' VAL . 93.8 t . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.588 0.233 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.34 102.25 1.03 Allowed 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.675 2.25 . . . . 0.0 112.205 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.0 m -79.11 167.83 20.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.544 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -141.16 147.08 37.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.457 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -95.04 141.3 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.608 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.0 -179.37 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.501 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.12 111.89 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.485 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t -101.09 150.12 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.531 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -107.89 123.39 48.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 72.3 t -106.19 99.5 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 m -103.45 134.71 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.46 95.08 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.094 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 73' ' ' LYS . 9.3 p -93.4 140.09 17.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -133.14 136.11 55.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.81 169.19 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.68 -140.92 3.73 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -171.49 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.707 0.289 . . . . 0.0 110.574 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -148.65 140.76 23.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 99.2 t -130.19 148.79 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.2 t -103.14 127.3 50.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.479 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.31 146.84 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.651 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -122.35 116.21 23.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.494 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 16.1 tt -136.68 139.83 44.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.378 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.26 152.07 37.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.725 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -104.28 165.23 11.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.318 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.494 ' C ' ' H ' ' B' ' 29' ' ' GLU . 71.7 p -122.92 -74.42 0.62 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.445 ' N ' ' OG1' ' B' ' 27' ' ' THR . 9.2 mt-10 -73.92 21.52 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.662 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' B' ' 27' ' ' THR . 2.5 tt0 49.62 19.2 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.681 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.59 -53.02 0.07 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' B' ' 28' ' ' GLU . 17.3 pt-20 -110.99 133.37 53.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.396 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.82 105.02 18.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.565 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.677 HG22 ' O ' ' B' ' 33' ' ' VAL . 9.7 p -122.15 50.64 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 49.3 p -150.41 90.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.597 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.435 ' O ' HG13 ' B' ' 35' ' ' VAL . 15.0 p -138.32 129.88 37.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.7 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -132.6 92.55 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.708 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.75 153.85 32.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.581 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.38 116.89 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.486 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -72.72 -12.41 61.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.693 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -77.68 -64.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.678 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -52.35 -36.26 53.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 m -63.07 -50.34 70.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -70.42 -52.68 20.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.99 -44.24 4.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.448 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -84.07 -26.27 7.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.83 -27.91 14.76 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.18 -36.55 64.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.843 0.354 . . . . 0.0 110.598 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.02 -11.06 60.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.3 p -96.76 -50.15 4.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.637 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.81 17.55 51.3 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.5 156.19 70.86 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -34.78 99.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.947 2.431 . . . . 0.0 112.398 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -48.07 -16.14 0.54 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.196 1.931 . . . . 0.0 112.089 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -72.62 -50.08 27.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.467 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.45 -21.17 59.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.49 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -77.82 -36.59 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.608 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -61.83 -55.06 33.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.57 -36.66 79.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -55.82 -41.07 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 5.5 t -67.0 -57.92 8.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -43.38 -57.9 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.414 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.0 -44.84 7.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.982 0.42 . . . . 0.0 110.391 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -60.48 -61.91 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.506 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.55 -20.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.673 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.0 OUTLIER -75.54 -47.47 26.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.701 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -108.13 6.55 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.741 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 40.49 93.62 0.01 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.13 -168.97 17.01 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.737 ' O ' HG23 ' B' ' 77' ' ' ILE . 2.5 m95 -108.65 150.1 28.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.705 0.288 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 44.4 t -128.24 134.9 64.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.728 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.92 130.08 56.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.221 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.442 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -93.0 -59.53 2.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -69.92 8.49 0.71 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' B' ' 72' ' ' LEU . 1.9 mt-10 -139.04 -11.56 1.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.588 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 44.61 66.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.413 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 74' ' ' GLU . 0.5 OUTLIER -146.92 150.94 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.638 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.737 HG23 ' O ' ' B' ' 69' ' ' TRP . 14.3 mt -140.23 134.28 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 158.22 39.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.558 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 16.7 t -85.49 149.46 4.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.798 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 2' ' ' VAL . 2.1 p . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.051 0.453 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 4' ' ' SER . 71.6 Cg_endo -83.62 96.02 0.77 Allowed 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.781 2.321 . . . . 0.0 112.134 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -42.69 166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.599 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -143.48 130.73 20.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -99.9 143.63 29.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.768 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.79 125.37 53.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.38 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -91.44 96.28 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.89 143.7 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.459 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -107.12 133.2 52.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 t -129.16 100.83 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.71 HG12 ' O ' ' B' ' 16' ' ' ALA . 14.5 m -101.19 115.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.806 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.71 96.4 5.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.017 0.437 . . . . 0.0 110.276 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -152.3 148.6 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.743 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.568 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -140.14 106.77 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.656 ' O ' HG12 ' B' ' 12' ' ' VAL . . . 169.83 164.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.536 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.704 ' H ' ' NH1' ' B' ' 10' ' ' ARG . . . 162.11 -149.0 16.87 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.519 ' O ' ' NH2' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -88.23 -174.57 4.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.669 0.271 . . . . 0.0 110.571 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -145.72 150.77 36.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.69 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -135.48 147.79 28.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.488 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -101.27 134.83 43.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.577 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 36' ' ' LYS . 21.0 t -142.94 139.59 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -106.62 123.71 48.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.462 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mp -127.69 126.94 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.505 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.67 117.4 33.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' O ' HG23 ' B' ' 2' ' ' VAL . 2.1 tt0 -96.68 164.97 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.52 -62.4 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.57 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.462 ' C ' ' N ' ' A' ' 30' ' ' GLY . 4.5 tp10 -77.31 10.85 2.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 48.11 13.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 28' ' ' GLU . . . -143.12 -18.07 0.25 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -139.35 151.02 46.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 110.554 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.6 p -107.54 116.83 51.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.663 HG13 ' N ' ' A' ' 34' ' ' THR . 7.1 p -49.83 -55.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.713 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.663 ' N ' HG13 ' A' ' 33' ' ' VAL . 28.4 m -151.29 150.5 30.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.769 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.6 m -123.88 125.24 70.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.602 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -101.06 172.9 6.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.27 130.89 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.36 104.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.642 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.939 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 33.9 p90 -59.21 -25.64 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.55 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -71.05 -64.13 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 8.7 mm-40 -44.17 -35.29 2.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.598 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -76.88 -43.98 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.645 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.939 ' NH2' ' CE1' ' A' ' 39' ' ' PHE . 44.7 mtp180 -62.18 -56.73 15.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -53.28 -34.24 56.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.468 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -72.24 -30.86 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.3 -25.68 8.52 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.87 -28.29 58.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.8 0.334 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -80.83 -31.07 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.507 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.591 HG22 ' CD2' ' A' ' 72' ' ' LEU . 50.9 p -86.14 -49.81 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.743 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.77 -18.85 54.35 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.4 156.5 56.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -38.61 157.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.367 2.044 . . . . 0.0 111.851 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -71.51 -55.86 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.287 1.991 . . . . 0.0 112.03 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.76 -52.39 6.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -48.1 -33.27 7.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -81.09 -30.96 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.7 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -67.84 -54.84 15.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.5 73.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.582 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 59' ' ' MET . 9.3 tmm? -67.32 -50.91 58.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.1 t -71.83 -39.08 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.0 tm-20 -61.34 -58.71 7.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.509 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.436 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -44.98 -44.99 10.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.89 -59.4 5.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.575 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.36 -20.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' ALA . 5.3 ttt180 -77.61 -47.45 19.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.808 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.06 3.35 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.76 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 52.65 106.1 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.7 168.9 40.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.49 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -100.91 150.83 22.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.487 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG22 HG12 ' A' ' 77' ' ' ILE . 97.6 t -118.81 150.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.502 ' OD1' ' NZ ' ' B' ' 73' ' ' LYS . 0.9 OUTLIER -126.49 116.95 21.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.202 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.591 ' CD2' HG22 ' A' ' 49' ' ' THR . 3.5 mp -82.7 -56.13 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -69.0 10.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.845 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 72' ' ' LEU . 6.5 mt-10 -143.35 -4.91 0.87 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.531 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 41.95 71.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.455 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -156.06 136.17 12.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.466 HG12 HG22 ' A' ' 70' ' ' VAL . 89.2 mt -126.33 103.1 10.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.391 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -97.67 147.05 24.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.509 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -101.78 -155.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 79' ' ' VAL . 17.2 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.632 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.738 ' O ' HG13 ' B' ' 2' ' ' VAL . 7.8 p . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 111.309 0.114 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -85.07 92.51 0.7 Allowed 'Trans proline' 0 C--N 1.317 -1.092 0 C-N-CA 122.287 1.991 . . . . 0.0 112.134 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.48 147.56 25.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.24 146.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -85.09 146.27 27.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.36 134.74 52.0 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -102.34 89.94 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.404 HG23 ' H ' ' B' ' 9' ' ' VAL . 0.2 OUTLIER -62.3 167.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.444 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.704 ' NH1' ' H ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -136.84 123.2 20.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 t -111.29 106.25 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.673 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 16' ' ' ALA . 4.8 m -104.82 122.18 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.515 ' N ' ' OE1' ' B' ' 13' ' ' GLN . 2.5 mp0 -128.69 94.9 3.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.396 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.43 155.15 6.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.707 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 0.0 OUTLIER -140.39 113.8 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.436 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.71 ' O ' HG12 ' A' ' 12' ' ' VAL . . . 175.83 152.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.613 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.6 167.2 32.27 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TRP . . . . . 0.511 ' CZ3' ' OE2' ' B' ' 48' ' ' GLU . 0.0 OUTLIER -65.72 -172.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.707 0.289 . . . . 0.0 110.572 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 54.4 mtm-85 -144.63 122.53 12.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.708 HG13 ' OE1' ' B' ' 41' ' ' GLU . 82.5 t -96.63 152.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.16 128.11 53.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.459 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 t -130.47 140.31 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.495 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -101.06 131.64 46.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.2 124.13 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.543 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -95.56 119.26 33.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -133.49 126.28 30.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.4 p -90.58 -151.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.504 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -96.58 -30.81 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.531 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -42.81 -31.63 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 37.46 4.68 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -139.52 155.08 47.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.799 0.333 . . . . 0.0 110.555 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.42 ' O ' HG13 ' B' ' 32' ' ' VAL . 9.9 p -107.57 130.94 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.558 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.948 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -73.95 -97.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.431 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.948 ' H ' HG13 ' B' ' 33' ' ' VAL . 1.8 t -134.82 144.08 47.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 110.469 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 m -98.49 140.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -132.81 104.62 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.98 169.07 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.729 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -91.52 123.67 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -75.76 -14.36 60.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.651 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -77.17 -51.61 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.737 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.708 ' OE1' HG13 ' B' ' 20' ' ' VAL . 0.8 OUTLIER -67.28 -26.05 66.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.655 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.78 -32.26 61.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -40.62 64.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.72 -29.08 62.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -74.2 -29.15 24.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.469 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.09 -23.74 48.02 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -72.73 -29.33 63.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.605 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.511 ' OE2' ' CZ3' ' B' ' 18' ' ' TRP . 16.1 mt-10 -83.15 -28.26 29.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -85.83 -49.92 7.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.53 15.93 44.84 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.28 157.21 68.34 Favored Pre-proline 0 C--N 1.332 -0.152 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.419 ' O ' HG23 ' B' ' 56' ' ' VAL . 75.4 Cg_exo -38.74 157.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.502 2.134 . . . . 0.0 111.773 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.31 -56.04 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.131 1.887 . . . . 0.0 112.098 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -44.33 -51.03 8.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -49.14 -31.0 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.652 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 52' ' ' PRO . 17.0 t -83.08 -48.98 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.644 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -49.34 -40.67 36.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.08 -50.85 44.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.3 tmm? -58.25 -39.12 78.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.647 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.468 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 78.1 t -79.72 -41.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.34 -51.43 66.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.197 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.18 85.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.352 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -43.94 -63.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.584 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.72 37.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -59.41 -25.93 64.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.765 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -6.22 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.645 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 41.07 90.67 0.01 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -147.11 -117.14 0.98 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.523 ' CZ3' ' OD2' ' B' ' 71' ' ' ASP . 2.9 p-90 -159.26 154.69 25.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.437 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.674 HG22 HG22 ' B' ' 77' ' ' ILE . 46.5 t -135.87 137.69 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.749 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.523 ' OD2' ' CZ3' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -116.31 112.68 21.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.926 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' B' ' 74' ' ' GLU . 1.0 OUTLIER -77.09 -6.87 54.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.479 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.502 ' NZ ' ' OD1' ' A' ' 71' ' ' ASP . 28.7 mtmt -41.98 -24.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 0.0 110.258 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' B' ' 72' ' ' LEU . 2.3 mm-40 -168.81 17.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.345 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 66.95 94.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.579 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -159.79 132.72 6.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.665 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.674 HG22 HG22 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -109.7 129.06 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.442 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -138.17 165.11 27.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.646 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.89 111.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.521 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 2' ' ' VAL . 2.1 p . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -52.13 101.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.577 2.185 . . . . 0.0 112.119 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -115.15 155.9 26.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -171.7 147.45 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -84.36 147.43 27.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -110.23 178.31 4.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.1 114.43 7.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.528 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -100.9 113.58 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.5 ttp85 -92.82 123.44 36.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -110.3 113.21 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.5 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 16' ' ' ALA . 8.7 m -105.82 162.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.423 ' CD ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -128.5 148.71 50.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.407 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' H ' ' HB2' ' B' ' 73' ' ' LYS . 63.5 t -80.19 141.76 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.9 t -140.21 143.31 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.672 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.22 169.7 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.52 -138.31 2.65 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -86.96 171.3 10.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 110.682 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.2 mtm-85 -143.47 128.82 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.663 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.5 t -100.83 139.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.61 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.87 108.94 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -106.4 144.0 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.466 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -97.43 135.56 39.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.568 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 mt -145.22 119.55 2.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.69 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -103.08 111.6 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.759 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -105.63 141.62 36.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.5 p -98.56 -157.8 0.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -96.42 -45.04 6.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -41.52 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' GLU . . . 103.15 -2.32 47.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -99.49 155.23 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.692 0.282 . . . . 0.0 110.38 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -107.54 130.67 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.565 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.98 HG13 ' H ' ' A' ' 34' ' ' THR . 2.4 p -59.86 -95.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.98 ' H ' HG13 ' A' ' 33' ' ' VAL . 32.6 m -137.76 148.73 45.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.907 0.384 . . . . 0.0 110.578 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 m -100.14 145.01 11.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.529 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -132.67 118.06 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.524 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.5 142.65 27.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.638 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.62 118.21 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.526 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.864 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 32.6 p90 -76.01 -30.9 58.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.529 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.864 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 39.9 m-20 -51.99 -64.72 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.4 -49.32 77.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.703 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -38.91 63.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.48 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.673 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 7.0 mtt180 -67.7 -47.69 68.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.485 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -67.72 -28.73 67.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -74.4 -33.03 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.82 -29.72 4.5 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -69.75 -37.6 76.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 0.0 110.558 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.51 -31.38 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.427 HG22 HD21 ' A' ' 72' ' ' LEU . 81.5 p -84.87 -49.35 8.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.549 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.64 -12.13 56.51 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.89 156.62 34.93 Favored Pre-proline 0 C--N 1.33 -0.245 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.379 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -38.69 157.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.415 2.077 . . . . 0.0 111.757 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.9 -50.39 0.35 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.317 2.011 . . . . 0.0 112.053 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.8 -54.23 5.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -44.84 -34.49 2.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.0 t -83.08 -47.6 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -47.19 -46.68 24.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.577 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.37 -65.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.807 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 59' ' ' MET . 7.8 tmm? -42.95 -43.28 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.43 -33.87 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -69.26 -57.89 4.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.583 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.06 -42.75 6.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.431 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -53.14 -62.7 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.21 -20.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.671 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 63' ' ' ALA . 12.3 ttt180 -80.74 -31.4 36.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.726 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -113.39 -1.92 10.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.907 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 154.61 -97.09 0.17 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.462 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 149.33 76.58 0.02 OUTLIER Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.746 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.406 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 12.2 t-105 -161.65 135.89 6.89 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -147.13 162.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -143.01 112.78 6.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.779 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.427 HD21 HG22 ' A' ' 49' ' ' THR . 10.4 mp -80.63 -26.35 37.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -58.19 -20.66 43.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.237 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -142.35 5.6 1.65 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.2 ttt85 48.68 87.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.366 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -157.37 135.24 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.59 133.47 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.423 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -138.37 175.39 9.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.018 0.437 . . . . 0.0 110.729 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.69 144.01 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.239 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.427 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.626 0.25 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.14 111.18 1.86 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.828 2.352 . . . . 0.0 112.229 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -169.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.588 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -170.57 138.21 1.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.337 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -87.09 137.06 32.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.11 132.08 54.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.641 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.64 94.39 6.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 94.4 t -77.91 111.6 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -73.98 136.73 43.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -135.98 86.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.37 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -85.16 140.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.773 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.53 94.63 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -151.8 133.0 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.077 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 t -119.79 104.35 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.42 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -166.25 173.5 10.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.34 169.77 22.25 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -94.0 -172.34 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.559 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -145.64 115.22 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.37 128.07 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -78.38 139.91 38.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.46 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 74.0 t -142.76 137.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.599 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -100.75 125.14 47.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 110.352 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.776 HD11 ' HB1' ' B' ' 64' ' ' ALA . 6.3 mt -134.29 123.15 42.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.606 ' HB3' HG11 ' B' ' 33' ' ' VAL . . . -99.39 140.57 33.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -133.44 142.68 48.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 10.8 p -106.19 -66.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.515 ' N ' ' OG1' ' B' ' 27' ' ' THR . 0.6 OUTLIER -96.68 3.98 52.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 68.96 -8.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -96.99 -15.21 39.93 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.51 160.93 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.163 -0.215 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.447 ' O ' HG13 ' B' ' 32' ' ' VAL . 10.5 p -122.44 128.57 75.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.547 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.935 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -64.21 -97.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.366 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.935 ' H ' HG13 ' B' ' 33' ' ' VAL . 54.6 m -137.02 124.03 21.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.736 0.303 . . . . 0.0 110.454 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 m -87.52 146.98 5.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -132.8 88.67 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.523 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.76 147.51 47.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.548 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.427 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 2.5 tp10 -69.09 113.21 6.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.443 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 45.6 p90 -74.62 -6.66 49.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.443 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 25.6 m-20 -77.61 -64.78 1.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 10.2 mt-10 -58.87 -38.15 78.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 74.7 m -57.39 -44.64 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.618 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -56.62 8.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.665 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -55.36 -24.06 27.49 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.648 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -76.14 -28.98 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.468 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.48 -18.8 70.17 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.1 -20.26 45.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.676 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -70.81 -53.09 16.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.744 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.459 ' OG1' HD13 ' B' ' 72' ' ' LEU . 1.3 m -88.93 -34.89 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.91 33.53 10.94 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.415 HD11 ' CD2' ' B' ' 72' ' ' LEU . 6.2 pt -111.15 148.55 38.93 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' B' ' 54' ' ' ARG . 74.4 Cg_exo -33.49 98.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.242 0 C-N-CA 122.886 2.391 . . . . 0.0 112.488 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -49.15 -7.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.191 1.927 . . . . 0.0 112.337 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' B' ' 52' ' ' PRO . 29.3 ttp85 -74.01 -56.75 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.501 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -55.3 -19.21 7.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.579 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 14.3 t -74.01 -54.75 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -46.5 -39.81 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.555 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.24 -61.13 2.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.543 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.479 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.0 tmm? -46.67 -51.81 15.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.423 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.479 ' N ' ' SD ' ' B' ' 59' ' ' MET . 24.7 t -58.14 -40.63 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -67.07 -53.68 28.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.493 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.93 -28.02 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.388 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -66.03 -63.19 1.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.321 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.776 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -44.21 -23.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' B' ' 63' ' ' ALA . 6.3 ttt180 -73.29 -44.11 59.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.526 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -102.97 -0.74 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.541 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 42.28 95.91 0.01 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.76 -162.95 20.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -105.95 165.44 11.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -147.53 132.93 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.575 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 71' ' ' ASP . 0.3 OUTLIER -91.7 127.27 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.38 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.459 HD13 ' OG1' ' B' ' 49' ' ' THR . 2.7 mt -75.28 -52.46 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.647 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.433 ' HB2' ' H ' ' A' ' 14' ' ' VAL . 6.9 mmtp -81.74 27.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.723 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.413 ' H ' ' H ' ' B' ' 75' ' ' ARG . 2.8 mt-10 -159.32 -0.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.508 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.413 ' H ' ' H ' ' B' ' 74' ' ' GLU . 7.6 ptp85 33.97 47.0 0.16 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.45 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -101.38 171.0 7.85 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.349 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 3.0 mt -141.59 116.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.623 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' LYS . . . . . 0.418 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 7.6 mmtp -105.63 154.16 20.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.322 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' B' ' 80' ' ' GLN . 1.6 p -106.95 147.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.589 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' B' ' 79' ' ' VAL . 19.9 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.671 0.272 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.91 116.0 2.35 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.568 2.179 . . . . 0.0 112.124 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.18 118.51 11.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.409 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.28 151.0 37.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -79.0 146.59 33.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.619 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.26 -178.85 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.386 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.82 117.81 6.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.635 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.477 HG21 HG22 ' B' ' 60' ' ' VAL . 26.0 t -101.55 123.09 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.476 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -86.22 123.65 31.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.765 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.78 104.42 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.222 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.738 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.7 m -104.3 96.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.059 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -103.64 94.2 5.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.029 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 p -155.08 144.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.07 107.24 12.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.471 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.666 ' O ' HG12 ' B' ' 12' ' ' VAL . . . -175.98 168.72 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.712 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.11 166.78 17.23 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 139.58 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.73 ' CD ' ' H ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -97.16 147.83 23.68 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.98 -179.631 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 21' ' ' SER . 55.4 t -110.25 157.39 10.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.223 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 20' ' ' VAL . 12.3 t -100.25 128.29 46.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.788 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -135.74 152.94 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.305 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -135.52 98.29 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.387 . . . . 0.0 110.643 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mt -103.69 154.3 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.457 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.15 106.27 7.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.97 145.1 25.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.52 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -104.77 -67.78 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.61 15.61 17.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.668 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 55.71 27.56 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.5 -17.03 0.52 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -139.22 146.85 40.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.685 0.279 . . . . 0.0 110.474 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.725 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.7 p -107.57 89.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.498 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.559 HG23 ' N ' ' A' ' 34' ' ' THR . 27.5 m -40.95 -45.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.559 ' N ' HG23 ' A' ' 33' ' ' VAL . 28.4 p -148.55 155.95 41.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 35' ' ' VAL . 7.8 p -144.7 103.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.402 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -100.47 160.03 14.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.02 146.04 27.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.439 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.84 93.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.638 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 45.1 p90 -62.1 -14.16 33.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.638 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 79.2 m-20 -77.61 -64.59 1.11 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 41' ' ' GLU . 83.8 mt-10 -48.98 -24.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.408 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.1 m -74.66 -40.12 61.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.455 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -69.06 -56.7 6.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.718 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -55.48 -25.69 38.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.629 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mm -80.57 -40.19 19.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.3 -18.89 0.97 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.98 -60.22 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.344 . . . . 0.0 110.654 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.31 -12.92 1.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.9 p -102.54 -42.49 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.628 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.27 -22.78 36.58 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.03 155.92 57.89 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -64.25 162.82 28.52 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.184 1.923 . . . . 0.0 112.064 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' VAL . 48.1 Cg_endo -70.54 -43.75 1.86 Allowed 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.713 2.276 . . . . 0.0 112.143 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -44.11 -43.38 6.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -26.59 66.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' PRO . 58.7 t -82.67 -52.23 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -46.46 -54.74 8.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.98 64.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' ' 59' ' ' MET . 7.8 tmm? -54.52 -34.94 62.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.705 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 61' ' ' GLU . 5.6 t -74.61 -64.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.85 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' N ' HG12 ' A' ' 60' ' ' VAL . 15.0 mt-10 -43.41 -48.7 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.489 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.86 -52.48 41.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 0.0 110.456 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.9 -53.49 56.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.382 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.6 -27.71 0.32 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.356 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -45.48 50.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.364 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -96.81 6.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.444 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.39 94.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.62 -179.08 36.99 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.537 ' HE1' ' CB ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -101.03 169.17 9.13 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.523 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.439 HG11 ' SD ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -131.25 144.47 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.872 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 75' ' ' ARG . 35.2 m-20 -118.0 113.09 21.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.317 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 74' ' ' GLU . 6.7 mp -71.44 -61.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.805 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' B' ' 14' ' ' VAL . 11.8 mmtm -71.62 40.09 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.57 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -172.6 -19.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.6 tpt180 47.1 70.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.546 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -138.95 134.4 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.684 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -111.36 123.76 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.537 ' CB ' ' HE1' ' A' ' 69' ' ' TRP . 17.3 mmtm -139.27 135.09 33.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -46.95 174.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.58 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.512 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.733 0.302 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -51.67 116.04 2.49 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.609 2.206 . . . . 0.0 112.018 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.2 t -140.4 138.36 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -155.4 150.15 26.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.433 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -77.27 141.73 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -112.99 128.87 56.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.507 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.52 121.4 42.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.539 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.8 t -106.94 111.89 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -83.29 130.23 35.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -111.44 107.45 22.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.516 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 16' ' ' ALA . 4.5 m -102.64 156.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.793 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.33 116.62 10.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.323 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.646 ' CG1' HG11 ' A' ' 12' ' ' VAL . 48.3 t -80.77 133.2 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.516 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' B' ' 16' ' ' ALA . 1.9 p -140.26 130.05 28.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' B' ' 15' ' ' VAL . . . 46.35 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.614 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.07 178.16 33.82 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.08 176.54 5.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.743 0.306 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 23.6 mtm105 -145.78 125.09 13.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 0.0 110.693 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.745 HG22 ' OE1' ' B' ' 41' ' ' GLU . 99.9 t -102.76 139.44 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.91 132.35 35.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.523 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 16.8 t -138.26 136.02 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.42 133.46 52.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.686 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.603 HD11 ' HB1' ' B' ' 64' ' ' ALA . 1.2 mt -140.56 126.98 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.576 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.656 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -104.72 121.97 44.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.576 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -107.29 151.42 25.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.558 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -106.07 -99.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.45 24.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 54.79 42.66 31.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.5 -22.61 0.09 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -139.28 150.17 45.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.595 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.2 p -107.55 125.97 63.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.96 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -59.44 -93.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.96 ' H ' HG13 ' B' ' 33' ' ' VAL . 1.6 m -136.71 115.93 12.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.764 0.316 . . . . 0.0 110.542 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -87.66 131.5 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.652 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -132.65 102.99 5.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.44 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.97 154.31 33.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.451 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.0 103.09 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -66.96 -10.64 51.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.45 -64.28 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.745 ' OE1' HG22 ' B' ' 20' ' ' VAL . 0.6 OUTLIER -57.11 -23.74 49.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.71 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 91.3 m -78.13 -37.3 46.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.531 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -52.4 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.454 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.2 -42.1 94.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.49 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -66.07 -25.76 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.499 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.58 -19.4 54.15 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -83.0 -52.98 6.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.749 0.309 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.82 -29.5 66.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.741 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 65.8 p -85.8 -42.81 13.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.7 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.51 -21.52 40.67 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.56 155.83 53.6 Favored Pre-proline 0 C--N 1.33 -0.248 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.44 163.08 21.8 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.175 1.916 . . . . 0.0 112.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' B' ' 56' ' ' VAL . 39.8 Cg_endo -68.99 -45.35 2.06 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.592 2.194 . . . . 0.0 112.218 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -43.92 -32.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.794 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -78.26 -36.26 47.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.639 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' B' ' 53' ' ' PRO . 19.2 t -73.22 -23.21 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -75.79 -54.66 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.45 -25.7 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.521 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 6.1 tmm? -76.57 -52.59 9.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.632 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.521 ' N ' ' SD ' ' B' ' 59' ' ' MET . 3.7 p -72.06 -17.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -74.28 -64.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.514 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.99 -48.34 16.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.452 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.54 ' HB1' ' HA2' ' B' ' 68' ' ' GLY . . . -46.27 -63.05 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.613 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -48.13 -20.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.641 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -82.76 -28.16 30.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -118.02 4.39 7.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 146.72 -101.16 0.23 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.54 ' HA2' ' HB1' ' B' ' 63' ' ' ALA . . . 153.05 74.44 0.01 OUTLIER Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.1 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.443 ' CD1' ' C ' ' B' ' 69' ' ' TRP . 7.9 t-105 -151.68 136.48 17.17 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -150.13 151.06 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.134 0.492 . . . . 0.0 111.299 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.439 ' OD2' ' NE1' ' B' ' 69' ' ' TRP . 2.2 m-20 -138.28 112.54 8.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.822 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.34 -20.84 56.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.669 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -6.25 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.663 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.15 16.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.474 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.4 HH21 ' CG ' ' B' ' 75' ' ' ARG . 5.3 mtt-85 41.24 87.89 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.758 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -144.1 125.17 14.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.602 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.28 97.61 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.673 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' LYS . . . . . 0.469 ' NZ ' ' OE2' ' A' ' 74' ' ' GLU . 6.8 tttt -102.18 171.75 7.31 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.135 0.493 . . . . 0.0 110.728 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.405 HG12 ' H ' ' B' ' 79' ' ' VAL . 0.2 OUTLIER -93.45 143.97 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.315 179.565 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.673 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 2' ' ' VAL . 2.1 p . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 121.176 0.512 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -83.6 121.71 2.99 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.589 2.193 . . . . 0.0 112.285 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -99.61 150.1 22.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.6 mtp85 -137.35 126.85 25.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -79.49 137.99 37.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.621 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 22.0 tt0 -110.24 163.38 13.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.53 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -131.97 87.2 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.617 HG12 ' N ' ' A' ' 10' ' ' ARG . 67.5 t -70.67 165.1 2.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.617 ' N ' HG12 ' A' ' 9' ' ' VAL . 48.9 ttp180 -131.16 123.32 28.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.435 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -110.49 114.11 46.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -109.23 149.41 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.9 98.25 3.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 110.49 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.447 HG22 ' H ' ' A' ' 14' ' ' VAL . 9.2 m -83.18 149.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.522 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 m -140.33 142.59 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 50.76 -167.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.506 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.08 -174.14 36.81 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -84.21 169.94 14.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.618 0.247 . . . . 0.0 110.656 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -140.13 121.59 15.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t -105.01 133.57 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.69 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.58 140.73 38.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.639 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.34 162.55 27.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.584 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -132.03 97.36 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.59 137.56 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.574 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . . . -103.94 104.6 14.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.466 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -100.73 135.01 42.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p -99.4 -164.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -102.57 19.88 18.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -110.02 -25.43 10.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.743 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.27 38.11 3.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.09 150.63 49.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.71 ' O ' HG13 ' A' ' 32' ' ' VAL . 8.5 p -107.43 95.24 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.953 HG13 ' H ' ' A' ' 34' ' ' THR . 2.5 p -47.55 -98.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.364 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.953 ' H ' HG13 ' A' ' 33' ' ' VAL . 1.1 m -125.1 163.42 22.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.46 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -135.99 130.26 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.634 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -104.3 98.59 8.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.793 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.61 169.37 13.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.403 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -101.92 114.19 28.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.662 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 1.093 ' HD1' ' HD2' ' A' ' 43' ' ' ARG . 33.7 p90 -66.71 -26.73 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.48 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.64 -63.74 1.0 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.97 -44.74 91.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.667 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.8 m -62.04 -29.33 70.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 1.093 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 76.2 mtt180 -74.98 -46.2 36.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.548 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.07 -30.01 67.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -80.35 -20.2 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.473 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.32 -18.72 79.91 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -82.88 -55.94 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.425 . . . . 0.0 110.664 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -60.08 -10.36 4.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.616 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.0 p -101.98 -36.01 8.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.88 -24.2 32.87 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -87.79 156.18 52.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -66.75 162.36 37.76 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.385 2.057 . . . . 0.0 112.131 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.72 -20.2 35.31 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.639 2.226 . . . . 0.0 112.058 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -58.84 -54.61 45.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.759 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.13 -25.74 67.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.802 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.57 -41.09 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.54 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -63.64 -54.95 27.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.32 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.529 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.6 tmm? -76.93 -40.51 46.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.595 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.519 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 6.2 t -64.82 -64.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' N ' HG12 ' A' ' 60' ' ' VAL . 51.6 mt-10 -43.29 -56.01 3.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.93 -37.19 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.482 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 60' ' ' VAL . . . -60.51 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.463 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.82 -20.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' ALA . 17.9 ttp180 -76.04 -46.73 27.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.434 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.77 2.1 10.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.518 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.37 95.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.79 -173.74 36.12 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.522 ' CE2' ' OE1' ' B' ' 74' ' ' GLU . 10.0 p90 -101.91 165.87 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.577 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -138.84 134.5 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.744 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -105.47 113.05 26.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 74' ' ' GLU . 1.5 mp -62.98 -55.81 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -71.42 40.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.1 tm-20 -174.68 -12.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.461 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ASP . 16.4 ttm-85 41.88 66.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -139.18 126.14 21.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.612 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.39 102.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.497 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 79' ' ' VAL . 30.8 mmtt -104.76 117.65 34.6 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 80' ' ' GLN . 1.0 OUTLIER -49.32 -179.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.7 tt0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.586 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.732 ' O ' HG13 ' B' ' 2' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.466 0.332 0 N-CA-C 111.398 0.148 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -84.42 102.09 0.86 Allowed 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.344 2.029 . . . . 0.0 112.196 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.49 148.7 35.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.592 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -140.29 154.7 46.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -95.54 152.5 18.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 0.0 110.433 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' B' ' 8' ' ' ASP . 42.9 tt0 -137.38 158.8 43.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.609 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.413 ' N ' ' CG ' ' B' ' 7' ' ' GLU . 1.1 m-20 -124.24 108.9 12.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.486 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -90.4 135.92 25.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -94.14 133.59 37.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.617 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 t -126.39 98.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.489 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -103.5 168.89 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.634 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.51 126.88 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.534 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.35 123.43 37.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 135.56 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.43 -177.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.23 177.36 36.11 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -94.17 168.96 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.673 0.273 . . . . 0.0 110.555 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 152.46 41.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.9 t -135.8 135.56 50.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.85 135.0 33.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.62 124.72 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -100.21 133.82 44.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.584 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 pt -139.65 129.68 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.99 111.27 23.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -98.17 135.02 40.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 72.4 p -101.23 -64.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.79 20.64 2.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 53.92 61.52 3.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.34 -57.67 0.08 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -103.11 149.17 24.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.614 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.66 ' O ' HG13 ' B' ' 32' ' ' VAL . 8.8 p -107.57 109.6 28.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.649 HG13 ' N ' ' B' ' 34' ' ' THR . 8.8 p -42.46 -50.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.649 ' N ' HG13 ' B' ' 33' ' ' VAL . 6.7 m -151.2 150.3 30.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 31.8 t -104.61 141.41 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.478 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -132.8 81.84 1.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.54 160.53 28.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.417 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 1.7 mt-10 -80.59 117.21 21.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -72.09 -11.66 60.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.3 -64.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.965 0.412 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -45.92 91.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.494 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 60.0 m -52.57 -28.96 23.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.681 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -55.02 6.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.504 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' B' ' 47' ' ' GLU . 8.7 mm-40 -61.36 -50.73 71.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -47.21 -29.97 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.413 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.8 -28.53 68.79 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' B' ' 44' ' ' GLU . 16.5 tt0 -77.71 -42.31 34.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.626 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -67.27 -35.55 79.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 41.5 p -87.12 -44.4 11.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.509 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.52 28.14 7.69 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 39.4 mt -125.45 132.68 24.38 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -39.58 157.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.677 1.585 . . . . 0.0 111.745 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.76 -45.27 1.09 Allowed 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.283 1.988 . . . . 0.0 112.189 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -46.5 -49.83 17.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.07 -59.03 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 t -56.64 -58.86 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -46.59 -34.92 5.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.568 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.72 -33.63 64.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.733 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -74.64 -47.54 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.617 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 12.9 t -51.58 -65.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -43.47 -51.98 6.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.339 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.11 -31.01 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.382 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -66.0 -61.69 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.521 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.74 -23.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.512 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' B' ' 63' ' ' ALA . 0.0 OUTLIER -75.57 -43.71 47.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.499 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -102.1 0.31 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.638 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 41.34 94.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.88 -172.25 40.49 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.49 160.18 14.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.731 0.301 . . . . 0.0 110.549 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.733 HG21 ' SD ' ' B' ' 59' ' ' MET . 29.4 t -125.1 151.11 30.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.415 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 2.7 m-20 -121.81 115.82 23.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.449 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -74.37 -58.01 3.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.651 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 47.8 mmtt -75.04 31.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.475 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.522 ' OE1' ' CE2' ' A' ' 69' ' ' TRP . 1.8 tm-20 -162.25 -12.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.567 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 42.06 70.66 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.644 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -137.84 157.62 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.583 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 9.9 mt -138.29 118.54 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.444 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 141.13 48.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.488 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.3 175.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.545 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.528 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 2' ' ' VAL . 87.2 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.754 0.312 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -82.87 130.11 5.67 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.658 2.239 . . . . 0.0 112.198 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.19 166.46 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.715 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.84 138.15 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.483 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -80.56 144.88 32.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.806 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -136.17 145.21 45.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -110.47 123.93 50.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.636 HG12 ' N ' ' A' ' 10' ' ' ARG . 60.9 t -104.04 166.61 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.479 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.636 ' N ' HG12 ' A' ' 9' ' ' VAL . 4.1 ttm180 -137.25 124.8 22.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.609 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -112.17 115.3 49.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.33 96.24 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.667 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -110.62 97.14 6.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.559 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.41 ' H ' ' HB3' ' B' ' 73' ' ' LYS . 55.5 t -138.37 134.19 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.636 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.627 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 1.6 m -139.77 106.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.526 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 165.16 155.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.89 177.0 32.59 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -90.37 -177.86 5.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 110.54 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.63 131.61 33.92 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.6 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.513 HG13 ' CD ' ' A' ' 41' ' ' GLU . 60.8 t -99.58 158.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.474 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.506 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -110.04 110.09 20.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.608 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.7 t -117.73 145.94 22.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.557 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -117.4 126.93 53.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.495 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.418 HD11 ' HB1' ' A' ' 64' ' ' ALA . 2.4 mt -131.56 126.24 57.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.62 109.51 21.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.622 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.67 147.29 26.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.4 p -93.56 -165.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.566 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 28' ' ' GLU . 3.5 mp0 -82.33 -22.71 35.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.53 -15.4 57.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.537 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.47 24.11 24.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -104.4 157.25 17.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 32' ' ' VAL . 6.8 p -107.36 89.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.437 ' H ' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -43.26 -58.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.663 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 m -151.22 143.38 24.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.475 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -114.5 136.21 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.41 150.29 50.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.463 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.0 141.73 46.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.478 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 116.13 2.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.665 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CZ ' ' OD2' ' A' ' 40' ' ' ASP . 34.0 p90 -72.72 -26.59 61.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.59 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.602 ' OD2' ' CZ ' ' A' ' 39' ' ' PHE . 1.5 m-20 -67.7 -64.5 0.85 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.756 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.513 ' CD ' HG13 ' A' ' 20' ' ' VAL . 1.8 pp20? -53.51 -28.26 30.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.61 -36.41 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.636 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.426 ' O ' ' OE2' ' A' ' 47' ' ' GLU . 1.2 mtp85 -72.27 -48.11 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.502 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.97 -42.42 99.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.26 -29.05 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.378 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -65.23 -29.94 76.56 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' A' ' 43' ' ' ARG . 2.3 mp0 -72.72 -37.64 67.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.699 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -76.52 -32.83 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -89.47 -49.65 6.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.607 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . 100.78 31.9 5.56 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.2 mt -125.51 132.59 24.35 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.469 ' O ' HG23 ' A' ' 56' ' ' VAL . 87.6 Cg_exo -39.2 157.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.85 1.7 . . . . 0.0 111.822 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.23 -48.41 0.63 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.145 1.897 . . . . 0.0 112.129 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -51.74 -47.31 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.539 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.69 -41.36 99.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.656 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 52' ' ' PRO . 79.4 t -70.87 -25.08 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.405 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -77.21 -31.45 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.616 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.78 -22.07 34.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.598 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 59' ' ' MET . 8.5 tmm? -77.84 -48.49 16.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.43 HG23 HG11 ' B' ' 9' ' ' VAL . 5.6 p -74.97 -28.88 21.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.438 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.9 tm-20 -62.21 -64.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.438 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -48.7 -43.49 37.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.361 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -54.32 -46.25 72.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.692 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.418 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -60.89 -20.13 61.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.563 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.84 -37.83 34.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.833 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.79 -9.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 159.36 -96.28 0.15 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.455 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 147.87 76.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.918 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.531 ' CZ2' ' OD1' ' A' ' 71' ' ' ASP . 83.6 t90 -152.88 135.51 15.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.436 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 79.4 t -155.65 149.17 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.092 0.472 . . . . 0.0 111.4 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.531 ' OD1' ' CZ2' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -145.41 111.75 5.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.551 178.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' GLU . 8.7 mp -66.45 -7.57 20.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.181 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -27.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.329 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -173.67 33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.315 179.737 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 57.24 85.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.55 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -135.53 146.53 48.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.6 mt -136.87 120.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -142.03 -171.91 3.46 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -104.54 143.73 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.46 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.65 ' O ' HG13 ' B' ' 2' ' ' VAL . 7.2 p . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 120.637 0.256 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -51.62 139.81 47.0 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.573 2.182 . . . . 0.0 111.996 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.19 138.57 38.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.526 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -143.28 142.52 31.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -93.76 153.84 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.646 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -130.21 136.24 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.452 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.15 120.8 39.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.517 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.43 HG11 HG23 ' A' ' 60' ' ' VAL . 60.7 t -101.66 120.03 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.704 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -84.51 128.23 34.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.377 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -127.07 126.75 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.674 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.37 176.69 8.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -168.41 93.45 0.34 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.992 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.632 ' O ' HG13 ' B' ' 14' ' ' VAL . 12.0 p -155.27 115.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 t -91.42 119.22 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.685 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -178.78 173.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.53 157.98 9.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 29.8 m95 -91.53 -176.27 4.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.29 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -145.48 144.91 30.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 t -139.34 144.24 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.492 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.86 149.33 23.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.427 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.83 140.27 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.626 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -115.68 97.47 6.15 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.492 HG22 ' HB ' ' B' ' 35' ' ' VAL . 2.1 pp -106.63 128.35 61.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.744 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.555 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -100.84 138.34 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.623 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -132.86 140.75 48.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.73 -161.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.412 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -100.92 22.14 12.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.671 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -110.83 -21.42 12.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.798 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.02 6.38 45.75 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.63 160.8 14.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.51 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 88.3 t -107.54 111.99 38.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.562 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.914 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -56.78 -97.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.914 ' H ' HG13 ' B' ' 33' ' ' VAL . 5.0 m -143.76 118.05 9.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.811 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.492 ' HB ' HG22 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -95.19 143.75 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -132.69 94.55 3.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.514 ' HB3' ' HG3' ' B' ' 57' ' ' LYS . . . -64.77 142.0 58.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.649 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.64 119.58 2.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.456 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.801 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 39.7 p90 -72.56 -20.11 61.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.801 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 53.3 m-20 -71.57 -64.56 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.458 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -54.63 -44.45 73.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 23.3 m -61.26 -38.89 88.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' B' ' 39' ' ' PHE . 13.3 mmt85 -68.44 -50.85 49.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.66 -31.96 72.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.504 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' B' ' 48' ' ' GLU . 1.3 mm -76.24 -33.57 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.81 -24.45 1.89 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -76.67 -34.57 58.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 110.561 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 45' ' ' ILE . 7.1 mm-40 -72.61 -26.43 61.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -88.54 -49.05 7.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.685 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.4 -12.66 56.95 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -99.74 156.48 35.3 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -38.51 157.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.44 2.093 . . . . 0.0 111.85 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -71.21 -53.0 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.348 2.032 . . . . 0.0 112.098 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -43.95 -44.75 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -48.81 -57.89 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 59' ' ' MET . 51.1 t -60.25 -48.68 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.646 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.514 ' HG3' ' HB3' ' B' ' 37' ' ' ALA . 23.6 tttp -46.12 -42.22 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.724 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.88 -23.97 58.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.636 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.641 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -77.04 -63.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.13 -28.14 10.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -68.73 -49.19 60.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.477 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.76 -31.46 38.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -62.56 -61.76 2.21 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.449 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.84 -27.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -68.22 -44.28 76.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.596 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.54 -1.44 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.789 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 50.21 98.2 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.22 -148.35 6.5 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -134.43 171.23 14.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.745 0.307 . . . . 0.0 110.692 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.641 HG21 ' SD ' ' B' ' 59' ' ' MET . 42.1 t -132.2 155.35 41.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.729 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.52 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.0 OUTLIER -136.6 112.78 9.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.423 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -80.68 -20.36 43.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 14' ' ' VAL . 19.2 pttt -48.74 -30.77 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.617 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -156.47 30.97 0.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 42.88 87.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -138.43 153.54 48.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 9.1 mt -140.39 131.9 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.648 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -141.47 169.08 18.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.45 -162.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.572 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 2' ' ' VAL . 2.1 p . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.928 0.394 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.72 90.26 0.95 Allowed 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.725 2.283 . . . . 0.0 112.274 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -91.74 151.16 20.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.386 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -162.11 148.39 13.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -77.52 146.32 36.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.629 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -110.57 138.6 46.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.507 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.83 99.5 8.63 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.607 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.5 t -79.44 112.2 17.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.614 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.611 HH11 HG11 ' A' ' 12' ' ' VAL . 2.2 ttp-105 -76.82 123.52 26.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.605 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -115.66 108.44 25.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.147 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 12' ' ' VAL . 26.7 m -101.16 96.06 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.897 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.664 ' OE1' HD22 ' B' ' 72' ' ' LEU . 2.5 mt-30 -111.28 94.98 5.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.173 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.5 m -151.87 150.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.666 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -134.31 106.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 175.91 149.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.511 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.26 -156.6 21.56 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -82.9 -175.44 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.687 0.279 . . . . 0.0 110.576 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -147.72 144.19 28.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.32 143.72 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.474 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.51 132.93 35.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 t -142.89 129.91 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.649 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -94.16 141.52 28.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.693 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 mt -145.12 130.24 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -100.53 101.79 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.23 143.7 39.99 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.559 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -100.78 -137.71 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.589 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -100.67 -27.79 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.481 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 0.8 OUTLIER -78.22 16.72 0.72 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.504 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.65 33.89 42.51 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.92 141.61 33.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.706 0.289 . . . . 0.0 110.497 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.2 p -107.5 105.76 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.944 HG13 ' H ' ' A' ' 34' ' ' THR . 2.5 p -61.0 -95.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.944 ' H ' HG13 ' A' ' 33' ' ' VAL . 59.8 p -120.88 132.6 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.584 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.55 139.68 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 143.0 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.3 142.03 41.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.38 116.49 4.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.658 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -67.71 -9.2 41.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.19 -64.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.464 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.77 -29.61 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.455 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -37.5 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.749 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.414 ' O ' ' OE1' ' A' ' 47' ' ' GLU . 58.3 mtt-85 -74.77 -56.66 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -51.71 -25.96 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.57 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -75.61 -35.83 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.595 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -58.68 -18.69 39.44 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -78.37 -32.79 49.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.828 0.347 . . . . 0.0 110.66 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 2.5 mp0 -77.46 -30.75 53.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.3 p -93.68 -50.18 5.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.87 33.69 7.69 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.717 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.38 155.19 72.04 Favored Pre-proline 0 N--CA 1.463 0.193 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -35.78 100.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.278 0 C-N-CA 122.773 2.315 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -49.54 -21.12 4.81 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.181 1.921 . . . . 0.0 112.071 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -65.53 -51.2 61.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.13 -39.87 87.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.401 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.08 -45.35 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -60.6 -42.22 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.478 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.37 -19.89 60.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.5 tmm? -82.33 -56.23 4.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.565 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.553 HG23 HG11 ' B' ' 9' ' ' VAL . 2.2 p -64.81 -13.71 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -81.85 -49.62 10.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.2 -47.73 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.17 -63.14 1.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.61 -24.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.479 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 63' ' ' ALA . 3.6 ttp180 -69.7 -46.83 65.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.42 14.4 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 52.23 100.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.0 167.33 39.71 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -101.11 174.38 6.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.433 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 t -140.5 134.14 33.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.819 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 75' ' ' ARG . 5.8 m-20 -107.99 113.07 25.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.29 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.52 HD22 ' HG2' ' B' ' 13' ' ' GLN . 4.8 mp -70.45 -42.44 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -73.09 14.91 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.702 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.6 tt0 -152.03 -11.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.526 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' ASP . 6.8 mmt180 43.27 53.89 5.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.467 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -136.46 138.16 41.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.506 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.55 145.81 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 148.49 38.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.611 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.02 141.14 15.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.546 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.62 HG22 ' O ' ' B' ' 2' ' ' VAL . 2.0 p . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 121.146 0.498 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.64 124.22 3.5 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.684 2.256 . . . . 0.0 112.279 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -94.83 143.9 26.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.451 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -150.71 142.4 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -97.27 152.45 18.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -110.32 159.69 17.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.88 84.99 2.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.617 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.553 HG11 HG23 ' A' ' 60' ' ' VAL . 62.0 t -65.35 120.77 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.364 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.4 ' HB3' HH21 ' B' ' 10' ' ' ARG . 10.5 ttm105 -98.78 123.41 43.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -105.55 102.06 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.369 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 12' ' ' VAL . 21.8 m -92.33 106.6 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.708 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.52 ' HG2' HD22 ' A' ' 72' ' ' LEU . 1.9 mp0 -118.48 95.02 4.69 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.284 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.71 155.34 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.705 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 1.5 p -140.3 104.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.636 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.633 ' O ' HG12 ' A' ' 12' ' ' VAL . . . 173.14 153.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.01 -162.91 27.78 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -90.65 -168.35 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.292 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -137.28 136.17 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.699 HG13 ' OE2' ' B' ' 41' ' ' GLU . 95.6 t -106.73 153.6 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.413 ' N ' HG12 ' B' ' 20' ' ' VAL . 13.7 t -102.52 116.63 33.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.644 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.444 HG12 ' N ' ' B' ' 23' ' ' LYS . 60.8 t -134.17 155.68 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.444 ' N ' HG12 ' B' ' 22' ' ' VAL . 52.8 tttt -123.78 127.45 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.668 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.53 HD11 ' HB1' ' B' ' 64' ' ' ALA . 2.6 mt -136.01 126.36 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.365 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.91 152.0 21.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.654 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -133.5 160.5 37.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.541 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.21 144.6 42.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.653 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -89.68 26.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.23 13.99 24.07 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.378 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.36 26.24 55.21 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -139.57 137.13 35.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.686 0.279 . . . . 0.0 110.511 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 32' ' ' VAL . 6.3 m -107.63 127.59 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.514 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.994 HG12 ' H ' ' B' ' 34' ' ' THR . 9.6 t -63.22 -163.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.857 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.994 ' H ' HG12 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -112.81 163.51 14.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.969 0.414 . . . . 0.0 110.994 -179.417 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.76 143.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.534 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -131.4 89.65 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.39 160.35 29.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.635 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.79 124.01 30.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.715 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.833 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 40.5 p90 -67.91 -16.48 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.73 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.833 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 16.8 m-20 -76.54 -64.14 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.639 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.699 ' OE2' HG13 ' B' ' 20' ' ' VAL . 1.3 pp20? -55.35 -25.58 35.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.465 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 55.8 m -75.77 -31.23 59.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.457 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -81.38 -40.27 23.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -70.23 -38.61 75.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.4 mm -65.39 -24.96 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.86 -50.65 10.56 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -47.62 -23.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.492 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -79.09 -40.88 30.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.627 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.491 ' CG2' HE22 ' A' ' 13' ' ' GLN . 62.1 p -86.55 -50.03 7.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.46 33.69 5.56 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.502 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.419 ' CD1' ' NH1' ' B' ' 75' ' ' ARG . 0.7 OUTLIER -123.97 155.98 66.45 Favored Pre-proline 0 C--N 1.331 -0.202 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -35.0 99.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.893 2.395 . . . . 0.0 112.423 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -49.93 -19.9 4.39 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.228 1.952 . . . . 0.0 111.993 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -69.5 -54.57 13.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.583 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.24 -25.65 61.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -68.54 -39.47 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.591 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -65.08 -35.63 81.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.716 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.09 -11.77 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.471 ' SD ' HG21 ' B' ' 70' ' ' VAL . 11.0 tmm? -82.76 -47.77 11.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 p -75.87 -25.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -69.94 -51.33 33.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.81 -53.39 55.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.5 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -53.55 -60.54 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.536 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.53 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -43.43 -29.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.477 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -66.6 -42.47 86.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.357 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -103.29 -0.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.665 179.746 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 58.79 96.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.83 177.16 37.34 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.7 OUTLIER -101.17 174.1 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.374 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.471 HG21 ' SD ' ' B' ' 59' ' ' MET . 12.0 t -138.06 143.52 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.933 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.0 OUTLIER -132.93 113.07 12.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.045 179.417 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.664 HD22 ' OE1' ' A' ' 13' ' ' GLN . 1.5 mp -78.45 -31.67 48.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.616 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -63.11 -5.24 2.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.486 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' B' ' 76' ' ' GLU . 1.6 tt0 -148.28 -4.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.546 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' B' ' 71' ' ' ASP . 7.8 mmt180 52.01 62.26 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.48 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 74' ' ' GLU . 0.4 OUTLIER -127.88 169.23 14.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.445 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.519 ' O ' HG22 ' B' ' 77' ' ' ILE . 21.4 mt -131.01 85.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 69' ' ' TRP . 0.2 OUTLIER -64.83 132.72 50.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.691 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 6.3 p -101.69 143.1 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.438 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.429 ' CG ' ' HE1' ' B' ' 69' ' ' TRP . 37.7 mt-30 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 2' ' ' VAL . 7.4 p . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.59 0.233 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -83.6 100.61 0.89 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.818 2.345 . . . . 0.0 112.178 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -178.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -166.41 133.51 2.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -96.41 148.83 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.35 162.75 14.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.86 96.96 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.618 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.9 t -87.95 121.42 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -89.65 123.33 33.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 t -105.99 114.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.261 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.487 HG12 ' C ' ' B' ' 16' ' ' ALA . 15.0 m -98.13 134.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.29 95.13 3.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.002 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -112.43 151.74 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 p -105.58 144.9 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.458 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -38.73 141.6 0.26 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.26 -91.88 1.39 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 19' ' ' ARG . 40.2 t-105 -96.55 162.61 13.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.701 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 3.4 mtt180 -150.57 135.84 17.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 21' ' ' SER . 47.6 t -95.4 157.7 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.471 ' N ' HG12 ' A' ' 20' ' ' VAL . 22.9 t -105.15 132.29 51.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.7 t -142.99 139.25 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.2 106.92 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.512 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.7 mt -107.81 135.56 46.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.84 99.15 8.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.493 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -100.44 137.61 38.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.465 ' OG1' ' N ' ' A' ' 28' ' ' GLU . 30.4 p -100.97 -66.66 0.9 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.477 ' C ' ' H ' ' A' ' 30' ' ' GLY . 4.3 mm-40 -87.12 21.7 2.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 59.4 2.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -136.77 18.84 3.56 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -139.48 146.57 40.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 110.443 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.2 p -130.65 89.21 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.406 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.679 HG23 ' N ' ' A' ' 34' ' ' THR . 34.9 m -51.18 -56.02 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.114 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.679 ' N ' HG23 ' A' ' 33' ' ' VAL . 59.5 p -147.38 163.62 35.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.38 145.15 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.48 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -132.64 116.52 16.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.691 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.46 158.18 15.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.93 127.54 33.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.635 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.866 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 32.3 p90 -78.56 -25.68 45.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.741 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.866 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.89 -64.43 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -53.63 -38.44 64.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.1 m -70.85 -25.03 62.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 39' ' ' PHE . 14.0 mmm-85 -81.63 -31.17 32.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.96 -38.1 23.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.668 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.501 HD11 HG11 ' B' ' 11' ' ' VAL . 0.8 OUTLIER -64.27 -25.13 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.498 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.9 -22.99 74.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -82.84 -31.08 28.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 1.1 mm-40 -84.09 -24.69 30.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.556 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -98.38 -47.8 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.64 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.38 32.04 5.03 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mt -125.38 125.61 25.12 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.769 ' O ' HG23 ' A' ' 56' ' ' VAL . 84.0 Cg_exo -40.55 156.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.77 1.647 . . . . 0.0 111.735 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.28 -41.6 6.71 Favored 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 122.379 2.053 . . . . 0.0 112.341 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.2 mmm-85 -53.82 -56.64 15.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.356 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.98 -40.57 85.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 52' ' ' PRO . 93.2 t -62.15 -57.24 12.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -45.86 -43.16 13.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.71 84.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 59' ' ' MET . 4.4 tmm? -71.09 -48.94 49.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.465 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.435 ' N ' ' SD ' ' A' ' 59' ' ' MET . 97.8 t -71.99 -23.0 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -75.04 -60.59 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.88 -48.16 8.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.385 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' VAL . . . -52.52 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.692 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.73 -20.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' ALA . 31.0 ttp85 -80.83 -36.11 31.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.7 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -107.73 -2.83 10.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 155.51 -96.04 0.15 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 149.66 77.03 0.02 OUTLIER Glycine 0 CA--C 1.527 0.837 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.496 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.493 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 5.7 t-105 -159.69 136.35 9.2 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.625 HG12 ' N ' ' A' ' 71' ' ' ASP . 57.0 t -148.11 164.88 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 0.0 111.467 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.625 ' N ' HG12 ' A' ' 70' ' ' VAL . 35.3 m-20 -143.38 113.07 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.415 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 74' ' ' GLU . 5.9 mp -75.01 -62.67 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.53 -178.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -60.2 1.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.231 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 72' ' ' LEU . 8.3 mm-40 -131.38 -7.71 3.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.487 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 mmm-85 43.57 68.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.528 ' OE2' ' NZ ' ' A' ' 78' ' ' LYS . 7.2 mm-40 -145.79 124.36 12.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.603 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.7 mt -103.86 125.89 58.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.378 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.528 ' NZ ' ' OE2' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -147.4 -166.56 2.55 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.79 143.59 20.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.359 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.57 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.58 0.229 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -84.15 130.87 4.88 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.89 2.393 . . . . 0.0 112.244 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 54.2 p -108.97 150.99 26.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -155.76 148.37 23.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.482 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -86.33 141.77 28.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.732 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -110.32 137.83 47.51 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.466 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.96 101.9 12.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.67 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.05 112.73 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -67.62 137.26 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.501 HG11 HD11 ' A' ' 45' ' ' ILE . 54.2 t -140.34 91.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.454 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 m -112.12 151.44 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.59 98.2 3.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.085 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.425 ' O ' ' OE2' ' A' ' 74' ' ' GLU . 80.5 t -152.09 153.12 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.878 0.37 . . . . 0.0 110.697 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.541 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 2.5 p -140.3 142.08 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' B' ' 15' ' ' VAL . . . 72.11 -177.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.11 -63.49 0.12 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.81 -169.96 2.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.785 0.326 . . . . 0.0 110.515 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -144.1 124.98 14.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.611 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -116.75 119.43 61.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.479 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -81.99 152.47 26.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.668 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -137.86 164.24 28.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.55 110.24 9.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 mt -138.25 125.93 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.44 101.7 13.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -92.19 145.8 24.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p -100.11 -142.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 30' ' ' GLY . 9.0 mt-10 -100.68 -57.82 2.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.643 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -41.48 -22.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.739 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 28' ' ' GLU . . . 91.04 56.56 1.7 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -136.9 161.03 37.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.65 0.262 . . . . 0.0 110.631 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.712 ' O ' HG13 ' B' ' 32' ' ' VAL . 8.0 p -107.4 93.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.556 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.457 HG22 ' H ' ' B' ' 33' ' ' VAL . 0.0 OUTLIER -48.2 -57.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 -179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.05 163.15 39.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.602 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.71 126.08 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.461 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -132.57 94.57 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.614 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.47 146.15 36.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 1.6 tt0 -54.21 108.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.328 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 1.296 ' CD1' ' NH1' ' B' ' 43' ' ' ARG . 40.0 p90 -69.83 -18.71 63.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.733 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.18 -64.35 0.93 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.7 -23.75 44.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.662 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 99.9 m -77.85 -28.79 50.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 1.296 ' NH1' ' CD1' ' B' ' 39' ' ' PHE . 6.8 mtm180 -81.74 -29.64 32.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.406 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.422 ' O ' ' OE2' ' B' ' 48' ' ' GLU . 2.5 tt0 -81.46 -47.45 13.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.689 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -56.0 -20.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.33 -18.9 70.37 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -85.0 -20.31 30.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.602 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' B' ' 44' ' ' GLU . 0.4 OUTLIER -73.43 -41.79 62.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.667 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.87 HG21 HD22 ' B' ' 72' ' ' LEU . 1.5 m -92.31 -34.39 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.777 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.67 33.42 5.06 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 pt -122.53 148.34 52.67 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -59.42 163.67 12.25 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.883 1.722 . . . . 0.0 112.139 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' B' ' 56' ' ' VAL . 55.3 Cg_endo -71.66 -48.21 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.725 2.283 . . . . 0.0 112.389 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -43.71 -27.68 0.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' B' ' 75' ' ' ARG . 22.1 mm-40 -75.65 -33.7 60.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.688 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 53' ' ' PRO . 15.7 t -80.32 -58.33 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.498 ' NZ ' ' OE2' ' B' ' 61' ' ' GLU . 23.5 tttp -45.88 -41.78 11.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.02 -39.53 83.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.786 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -73.8 -61.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 16.9 t -41.33 -70.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.498 ' OE2' ' NZ ' ' B' ' 57' ' ' LYS . 33.7 mt-10 -43.46 -58.96 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.797 0.332 . . . . 0.0 110.535 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.78 -35.7 1.99 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.338 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' B' ' 60' ' ' VAL . . . -69.6 -59.95 2.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.583 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.39 -20.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' B' ' 63' ' ' ALA . 10.5 ttp85 -80.14 -47.3 14.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.786 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -98.7 1.16 10.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.692 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 48.08 99.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.13 175.6 42.85 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 5.6 m0 -100.95 162.66 12.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.69 0.281 . . . . 0.0 110.539 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.79 133.96 63.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.7 OUTLIER -102.1 112.93 25.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.18 179.483 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.87 HD22 HG21 ' B' ' 49' ' ' THR . 3.2 mt -74.85 -30.82 61.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -0.53 2.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.819 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -163.4 11.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' B' ' 71' ' ' ASP . 74.5 mtp180 40.83 46.4 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -107.3 179.09 4.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.09 157.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.627 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.55 146.41 28.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 3.9 t -84.63 140.16 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.572 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.616 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 2' ' ' VAL . 2.4 p . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -53.54 167.65 0.88 Allowed 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.076 1.85 . . . . 0.0 111.945 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.91 150.82 30.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.618 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -153.78 151.78 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -102.63 153.59 19.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.94 130.51 48.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.69 97.98 8.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.649 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 t -75.04 117.57 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.436 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -97.81 123.25 41.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.52 101.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.589 ' O ' HG23 ' A' ' 12' ' ' VAL . 34.0 m -91.65 111.9 24.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.459 ' OE1' HG22 ' B' ' 49' ' ' THR . 12.9 mt-30 -107.25 94.5 5.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.164 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.42 153.56 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.718 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.664 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 2.0 p -139.41 116.5 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.564 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 163.39 172.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.541 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.11 176.97 39.0 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -98.78 -176.68 3.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.821 0.343 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -144.49 118.08 9.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.9 t -103.64 147.79 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.458 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.36 140.26 38.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.593 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 36' ' ' LYS . 96.3 t -142.94 145.17 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.488 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -107.07 134.96 49.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.559 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.617 HD11 ' HB1' ' A' ' 64' ' ' ALA . 5.9 mt -139.31 134.51 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.06 100.54 9.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.661 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -105.89 139.1 40.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.5 p -100.67 -97.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.474 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 5.0 mt-10 -61.67 -5.04 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 28' ' ' GLU . 9.6 tt0 78.43 -6.82 1.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.96 -18.83 21.28 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -139.54 141.48 37.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.726 0.298 . . . . 0.0 110.64 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.613 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.2 p -108.07 113.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.707 HG13 ' H ' ' A' ' 34' ' ' THR . 7.5 p -52.62 -59.28 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.707 ' H ' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -151.14 163.64 38.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.649 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.93 150.07 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.416 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' O ' HG13 ' A' ' 22' ' ' VAL . 1.5 ttmm -132.63 174.79 9.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.444 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.37 121.17 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.474 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -52.34 118.07 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -76.77 -9.65 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.725 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -64.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG3' ' H ' ' A' ' 41' ' ' GLU . 16.8 mt-10 -58.65 -39.06 79.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.582 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.0 m -61.16 -32.74 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -80.29 -55.86 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.501 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -24.46 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.3 mm -76.48 -34.12 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.81 -27.54 13.54 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -74.62 -23.46 58.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 0.0 110.548 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -86.85 -32.65 20.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.617 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -88.06 -49.69 6.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.461 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.47 -16.11 55.36 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.637 ' CD1' HH22 ' A' ' 75' ' ' ARG . 0.6 OUTLIER -89.68 156.46 47.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.467 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -38.81 157.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.466 2.111 . . . . 0.0 111.929 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.33 -49.44 0.29 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.288 1.992 . . . . 0.0 111.963 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -45.7 -54.63 7.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.39 -35.11 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.587 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.65 -34.22 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HZ3' ' CB ' ' A' ' 57' ' ' LYS . 6.6 ttpm? -71.3 -48.65 49.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.501 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.09 68.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 60' ' ' VAL . 9.3 tmm? -75.86 -57.17 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.409 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.473 ' N ' ' SD ' ' A' ' 59' ' ' MET . 1.4 p -61.52 -14.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -77.66 -53.57 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.43 -36.8 34.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.394 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -62.76 -62.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.617 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -43.52 -21.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.616 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -75.0 -47.55 28.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.5 2.23 10.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.747 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 46.4 98.16 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.35 -142.34 3.37 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.467 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -138.85 174.04 10.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.564 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -149.74 150.21 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.796 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -126.58 112.74 15.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.046 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.83 -21.64 65.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -39.12 0.52 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CD ' ' HE1' ' B' ' 69' ' ' TRP . 5.4 mt-10 -152.35 16.59 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.536 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.637 HH22 ' CD1' ' A' ' 51' ' ' ILE . 12.9 tpp180 60.1 83.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.549 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -134.62 125.81 27.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.631 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt -111.03 125.8 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.656 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -142.3 -174.95 4.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 80' ' ' GLN . 11.9 p -100.77 -42.45 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.523 ' N ' HG13 ' A' ' 79' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.691 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.567 ' O ' HG13 ' B' ' 2' ' ' VAL . 4.5 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.605 0.24 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.48 161.56 14.8 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.78 2.32 . . . . 0.0 112.126 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 53.6 p -133.57 151.17 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.624 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.536 HH11 ' CD ' ' B' ' 7' ' ' GLU . 6.0 ptm180 -153.14 138.02 17.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.527 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.421 ' CD1' ' OD2' ' B' ' 8' ' ' ASP . 49.7 p90 -79.34 146.48 32.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.536 ' CD ' HH11 ' B' ' 5' ' ' ARG . 3.7 tp10 -110.24 128.22 55.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.568 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.421 ' OD2' ' CD1' ' B' ' 6' ' ' PHE . 40.9 m-20 -99.28 101.07 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.618 HG12 ' N ' ' B' ' 10' ' ' ARG . 61.1 t -85.02 165.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.618 ' N ' HG12 ' B' ' 9' ' ' VAL . 24.0 ttm-85 -135.89 135.38 39.67 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.504 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.36 98.35 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.3 m -93.39 150.02 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.615 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -148.6 94.67 2.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.255 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.567 HG21 HG21 ' A' ' 12' ' ' VAL . 32.6 m -82.91 155.56 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.699 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -113.0 144.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.523 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.93 152.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.519 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.42 -109.36 0.83 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -77.55 167.07 22.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.867 0.365 . . . . 0.0 110.447 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -142.01 138.59 31.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.583 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -118.96 130.51 73.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.567 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.15 138.23 33.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.703 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.432 HG12 ' N ' ' B' ' 23' ' ' LYS . 96.4 t -140.46 153.96 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.432 ' N ' HG12 ' B' ' 22' ' ' VAL . 72.5 tttt -134.42 97.32 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.484 ' CG2' HG13 ' B' ' 35' ' ' VAL . 5.0 pt -108.43 134.81 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.39 111.53 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.616 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.18 136.04 41.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.475 ' C ' ' H ' ' B' ' 29' ' ' GLU . 40.9 p -100.3 -76.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.531 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -73.89 19.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.646 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' B' ' 27' ' ' THR . 4.9 mt-10 58.48 21.58 8.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.513 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.42 -41.74 0.05 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.7 142.86 32.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 110.714 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.643 ' O ' HG13 ' B' ' 32' ' ' VAL . 11.2 p -107.49 113.15 42.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.545 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.464 ' H ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -48.84 -57.92 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.667 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -151.32 147.73 27.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.572 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.484 HG13 ' CG2' ' B' ' 24' ' ' ILE . 5.6 t -102.92 141.45 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.669 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -132.75 82.3 1.99 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.716 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.7 151.11 34.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.517 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.8 119.94 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 1.057 ' CD1' ' NH2' ' B' ' 43' ' ' ARG . 23.7 p90 -78.11 -38.15 44.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.657 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.605 ' OD2' ' CZ ' ' B' ' 39' ' ' PHE . 1.2 m-20 -45.4 -60.23 2.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.92 -59.1 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.644 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 m -48.91 -26.59 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 1.057 ' NH2' ' CD1' ' B' ' 39' ' ' PHE . 82.8 mtt180 -81.96 -34.17 29.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.09 -25.97 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.856 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -26.46 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.902 0.382 . . . . 0.0 110.782 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.5 -18.79 66.08 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -87.77 -20.13 26.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -95.82 1.32 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.459 HG22 ' OE1' ' A' ' 13' ' ' GLN . 81.8 p -132.2 -25.29 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.07 -27.08 19.95 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.522 HG13 HD11 ' B' ' 72' ' ' LEU . 8.6 mm -60.62 133.03 91.43 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -68.95 154.24 71.18 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.428 1.418 . . . . 0.0 112.2 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -43.03 -62.64 0.41 Allowed 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.719 2.279 . . . . 0.0 113.273 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -43.14 -57.71 2.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.744 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -51.03 -56.1 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.841 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.29 -56.7 14.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.615 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' B' ' 61' ' ' GLU . 28.3 ttpt -45.93 -42.78 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -59.19 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.404 ' O ' ' HB3' ' B' ' 62' ' ' ALA . 54.5 tpp -54.21 -44.26 71.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.732 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.458 HG12 ' N ' ' B' ' 61' ' ' GLU . 4.8 t -56.12 -67.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.489 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.458 ' N ' HG12 ' B' ' 60' ' ' VAL . 12.0 mt-10 -43.32 -47.81 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.268 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 59' ' ' MET . . . -44.29 -38.94 4.18 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.243 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -64.2 -56.45 14.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.244 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.71 -20.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' B' ' 63' ' ' ALA . 1.5 ttt85 -80.69 -47.32 14.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -100.76 3.96 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.768 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 40.81 94.09 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.49 -169.4 34.34 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 1.7 p-90 -105.62 174.41 5.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 110.334 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 71.4 t -145.39 134.97 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' B' ' 75' ' ' ARG . 52.7 t0 -110.26 112.98 25.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.907 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.522 HD11 HG13 ' B' ' 51' ' ' ILE . 0.5 OUTLIER -76.34 -43.4 41.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.052 -179.689 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -6.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.572 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.456 ' H ' ' C ' ' B' ' 72' ' ' LEU . 41.0 mt-10 -139.26 -12.45 1.2 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.476 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' B' ' 71' ' ' ASP . 3.3 ttt85 57.11 70.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -146.17 151.87 38.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.58 125.36 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -127.64 144.99 51.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.68 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.415 ' O ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -67.81 -176.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.591 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.506 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.739 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.4 p . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 111.263 0.097 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -83.93 140.58 9.08 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 122.182 1.922 . . . . 0.0 112.275 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.3 p -103.14 138.13 40.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.433 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -108.19 143.45 36.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -103.44 136.62 42.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.585 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 29.0 tt0 -118.03 162.86 17.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.358 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 0.4 OUTLIER -130.57 113.9 14.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.4 t -100.92 130.29 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -92.63 123.17 35.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.03 101.02 8.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.7 m -81.35 142.94 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -147.63 95.22 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.254 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.13 136.06 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.74 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.64 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.9 p -140.35 114.71 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.707 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 165.63 153.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.38 -166.41 39.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -90.18 -177.08 5.05 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.802 0.334 . . . . 0.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' CZ ' ' NH1' ' B' ' 10' ' ' ARG . 57.6 mtt-85 -135.37 150.06 49.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.491 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.878 HG22 ' OE1' ' A' ' 41' ' ' GLU . 86.2 t -126.92 145.25 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.405 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.2 m -100.72 109.71 21.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.39 148.28 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -133.18 112.26 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.615 ' CG2' HG13 ' A' ' 35' ' ' VAL . 17.2 pt -131.38 142.62 42.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.574 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.54 142.34 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -133.48 143.34 48.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.8 p -92.37 -87.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 30' ' ' GLY . 2.2 mt-10 -89.34 20.73 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 62.45 -0.36 0.53 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.673 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -104.79 -19.02 11.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -136.74 136.52 39.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.671 0.272 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 p -107.42 130.42 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.92 HG13 ' H ' ' A' ' 34' ' ' THR . 2.6 p -66.74 -100.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.92 ' H ' HG13 ' A' ' 33' ' ' VAL . 6.1 t -122.12 144.01 49.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.627 0.251 . . . . 0.0 110.569 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 61' ' ' GLU . 63.8 t -99.47 137.11 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.601 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -132.81 106.53 7.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.413 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.59 138.14 36.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 5.0 mt-10 -49.89 109.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -78.17 -16.48 57.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -74.84 -45.94 39.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.759 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.878 ' OE1' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -75.12 -23.47 57.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.542 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 73.7 m -81.55 -18.4 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -32.62 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.591 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.9 -34.38 26.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.533 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -24.49 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.97 -32.15 79.03 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -65.52 -26.83 68.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.471 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.76 -21.2 32.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.729 HG22 HD21 ' A' ' 72' ' ' LEU . 69.1 p -91.75 -44.14 9.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.519 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.06 -20.01 51.95 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.41 156.31 56.67 Favored Pre-proline 0 C--N 1.33 -0.265 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -39.51 158.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.355 2.036 . . . . 0.0 111.753 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.85 -54.52 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.348 2.032 . . . . 0.0 112.053 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -45.37 -47.14 13.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.494 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -43.98 -51.88 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 59' ' ' MET . 56.9 t -56.73 -51.16 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.504 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -46.05 -53.33 10.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.52 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.3 -16.24 63.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.471 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.586 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -82.0 -51.93 7.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.749 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.2 p -76.16 -11.09 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.658 ' HG2' HG11 ' A' ' 35' ' ' VAL . 1.2 tm-20 -80.25 -55.19 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.451 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.89 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.446 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -50.07 -59.69 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.63 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.722 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.486 ' NH1' ' OE1' ' A' ' 61' ' ' GLU . 13.8 ttm-85 -70.07 -32.87 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.624 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ALA . 3.4 m -106.0 -7.16 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 49.43 87.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.2 -149.43 4.97 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.528 ' O ' ' CD1' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -132.8 154.9 49.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.669 0.271 . . . . 0.0 110.622 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.586 HG21 ' SD ' ' A' ' 59' ' ' MET . 13.1 t -129.98 146.65 33.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.698 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.52 ' OD2' ' CH2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -131.19 113.28 13.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.313 179.78 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.729 HD21 HG22 ' A' ' 49' ' ' THR . 2.4 mp -67.75 -58.86 3.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.584 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -75.14 47.88 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.636 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -172.67 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.418 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 56.31 66.17 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.76 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -137.61 138.27 39.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.7 mt -135.33 96.25 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.579 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 174.33 5.92 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 80' ' ' GLN . 3.1 p -102.27 157.13 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.576 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' GLY . 3.9 tt0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.525 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.67 0.272 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.36 138.53 46.61 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.622 2.215 . . . . 0.0 111.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 44.3 p -124.9 143.63 50.75 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.88 146.05 31.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.616 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -99.05 151.39 21.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.44 ' N ' ' CD ' ' B' ' 7' ' ' GLU . 4.3 mm-40 -110.39 175.41 5.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.34 86.1 1.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.531 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.618 HG12 ' N ' ' B' ' 10' ' ' ARG . 58.3 t -81.4 164.85 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.618 ' N ' HG12 ' B' ' 9' ' ' VAL . 13.9 ttm180 -137.57 123.31 19.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.663 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.74 105.8 19.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 16' ' ' ALA . 16.1 m -99.25 151.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.717 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.97 95.32 2.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.423 HG22 ' N ' ' B' ' 15' ' ' VAL . 2.8 p -154.18 154.09 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.423 ' N ' HG22 ' B' ' 14' ' ' VAL . 0.2 OUTLIER -140.22 107.73 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.74 169.54 2.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.54 166.14 26.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -96.97 -169.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -149.28 154.26 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.764 HG11 HG21 ' B' ' 60' ' ' VAL . 8.4 p -132.1 155.05 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.637 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.445 ' N ' HG22 ' B' ' 20' ' ' VAL . 18.6 t -105.42 115.74 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.438 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.64 143.82 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.353 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -109.61 127.75 54.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.618 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -133.33 124.32 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.457 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.656 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -101.97 134.69 44.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -133.41 126.31 30.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.6 p -76.66 -179.15 5.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -88.33 20.67 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -117.11 26.5 9.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.719 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 54.75 11.83 3.14 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -99.58 145.85 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.508 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.552 ' O ' HG13 ' B' ' 32' ' ' VAL . 9.8 p -107.57 120.8 59.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.493 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.945 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -61.54 -96.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.945 ' H ' HG13 ' B' ' 33' ' ' VAL . 6.6 m -146.86 136.54 23.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.782 0.325 . . . . 0.0 110.691 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.447 ' H ' HG12 ' B' ' 35' ' ' VAL . 0.9 OUTLIER -79.34 130.85 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.451 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -132.59 99.12 4.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.592 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.66 136.85 39.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -41.77 120.13 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.434 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -76.26 -10.12 59.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -75.57 -64.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.718 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 8.6 mt-10 -61.33 -46.41 90.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 93.8 m -53.94 -36.91 63.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.559 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -80.37 -50.6 9.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.391 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.48 -26.07 53.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.489 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 26.9 mt -74.05 -44.11 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.545 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' B' ' 50' ' ' GLY . . . -54.98 -22.9 29.5 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -77.06 -34.13 57.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 110.613 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -83.5 -25.43 31.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.575 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -100.03 -37.38 9.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' B' ' 46' ' ' GLY . . . 102.42 -26.88 22.67 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.2 mm -60.36 132.43 90.57 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.43 ' O ' HG23 ' B' ' 56' ' ' VAL . 80.6 Cg_exo -39.93 157.41 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.223 0 C-N-CA 121.795 1.663 . . . . 0.0 111.795 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.52 -57.04 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.265 1.977 . . . . 0.0 112.128 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -45.48 -56.84 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.456 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -46.77 -59.25 3.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.705 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 52' ' ' PRO . 83.8 t -48.09 -49.92 11.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.634 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -51.04 -30.98 17.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.81 -24.05 33.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.586 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' B' ' 59' ' ' MET . 7.5 tmm? -74.64 -56.63 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.764 HG21 HG11 ' B' ' 20' ' ' VAL . 4.0 p -64.53 -34.61 70.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.755 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' B' ' 62' ' ' ALA . 4.6 tm-20 -57.97 -60.31 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.352 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.442 ' N ' ' CD ' ' B' ' 61' ' ' GLU . . . -48.95 -31.74 7.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.169 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -70.01 -27.02 64.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.445 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 61' ' ' GLU . . . -74.69 -21.76 59.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.323 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -79.32 -38.52 35.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.771 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.64 -25.74 3.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 66.44 102.51 0.02 OUTLIER Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.04 -162.03 25.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -108.54 163.28 13.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.765 0.317 . . . . 0.0 110.457 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.6 t -144.83 133.7 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.33 112.87 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.078 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 tp -71.36 -41.81 69.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.599 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.93 32.12 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.192 0.52 . . . . 0.0 110.901 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' B' ' 72' ' ' LEU . 23.4 tt0 -173.03 -18.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 ttp85 63.72 47.19 3.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' B' ' 74' ' ' GLU . 0.6 OUTLIER -103.77 165.83 10.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.619 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 7.6 mt -144.45 102.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' LYS . . . . . 0.433 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 3.7 mmtm -99.37 164.36 12.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.528 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.538 HG12 ' H ' ' B' ' 80' ' ' GLN . 0.7 OUTLIER -101.49 -152.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.396 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.538 ' H ' HG12 ' B' ' 79' ' ' VAL . 5.4 pt20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.704 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.662 0.268 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -83.37 95.16 0.8 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.703 2.269 . . . . 0.0 112.086 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.71 155.61 18.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -166.34 147.06 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.515 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -87.64 153.11 21.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.524 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -124.28 151.28 44.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -113.96 115.04 27.01 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.683 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.08 167.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.473 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -129.4 128.06 42.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.592 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 t -123.78 138.13 54.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.6 m -118.63 95.98 4.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.713 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.483 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -109.86 95.27 5.49 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.478 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 15' ' ' VAL . 74.6 t -153.65 153.49 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.9 p -140.34 111.22 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.501 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 169.31 155.98 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 173.74 174.36 40.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -77.3 -168.19 1.07 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.773 0.32 . . . . 0.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -135.27 146.52 48.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.419 HG11 HG21 ' A' ' 60' ' ' VAL . 94.0 t -134.04 142.85 40.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.68 143.23 31.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 t -143.02 137.92 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.485 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -107.43 118.01 35.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.641 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.47 HD11 ' HB1' ' A' ' 64' ' ' ALA . 96.5 mt -115.13 121.53 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.29 120.9 41.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.724 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.64 168.76 9.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.48 ' C ' ' H ' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -135.75 -87.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 30' ' ' GLY . 5.8 mm-40 -75.47 25.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' THR . 11.9 tt0 50.15 14.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 28' ' ' GLU . . . -145.53 4.09 1.23 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -138.21 136.13 36.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.747 0.308 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 32' ' ' VAL . 2.8 p -107.49 93.88 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.578 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.718 HG23 ' H ' ' A' ' 34' ' ' THR . 34.3 m -52.67 -59.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.718 ' H ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -151.16 163.47 38.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.755 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.9 m -144.35 119.13 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.513 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.1 155.3 17.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.57 147.87 45.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.489 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.3 mm-40 -57.46 116.01 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.482 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 1.004 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 34.5 p90 -80.64 -17.96 49.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 1.004 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 3.4 m-20 -77.66 -64.36 1.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.645 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -57.8 -31.81 66.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 22.3 m -66.26 -45.61 79.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.676 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLY . 6.4 ttm180 -78.21 -50.02 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -42.91 -33.64 0.82 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.513 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.6 mt -84.88 -31.12 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.601 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -46.51 -29.02 3.73 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.71 -30.83 63.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 0.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ILE . 51.5 mm-40 -82.65 -16.64 47.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.519 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.6 p -93.6 -50.16 5.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.593 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.45 18.64 54.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.45 155.89 71.16 Favored Pre-proline 0 N--CA 1.463 0.218 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -34.99 99.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 123.027 2.485 . . . . 0.0 112.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.0 -15.16 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.195 1.93 . . . . 0.0 111.933 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -67.47 -56.36 9.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.456 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -45.99 -53.7 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.692 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.5 t -43.91 -54.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.642 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -49.36 -40.52 35.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.461 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.99 -26.41 36.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.441 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -72.32 -56.18 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.667 HG13 ' N ' ' A' ' 61' ' ' GLU . 8.8 p -52.49 -53.98 17.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.441 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.667 ' N ' HG13 ' A' ' 60' ' ' VAL . 63.5 mt-10 -43.46 -48.63 7.26 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.252 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 65' ' ' ARG . . . -50.42 -47.98 56.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.254 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.594 ' HB1' ' HA2' ' A' ' 68' ' ' GLY . . . -43.86 -62.81 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.381 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.47 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -52.12 -20.53 2.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.619 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 62' ' ' ALA . 23.6 ttm-85 -84.64 -28.07 26.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.973 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.677 ' O ' HG22 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -121.68 14.66 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.718 -179.72 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.63 ' CA ' HG13 ' A' ' 79' ' ' VAL . . . 133.74 -107.94 0.71 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.594 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 169.04 67.93 0.03 OUTLIER Glycine 0 CA--C 1.532 1.148 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.533 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.447 ' HB3' ' H ' ' A' ' 78' ' ' LYS . 0.9 OUTLIER -161.38 135.01 6.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.631 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.424 HG21 ' SD ' ' A' ' 59' ' ' MET . 2.6 t -142.89 135.95 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.268 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 76' ' ' GLU . 1.1 m-20 -120.59 113.83 20.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.219 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.494 HD22 ' OE1' ' B' ' 13' ' ' GLN . 5.1 mp -82.79 -53.12 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -70.59 7.81 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.4 mt-10 -141.8 -10.07 0.91 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.679 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 50.13 59.51 4.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.485 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' O ' ' OD2' ' A' ' 71' ' ' ASP . 3.6 mm-40 -138.14 156.67 47.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.1 mt -131.53 131.83 62.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' H ' ' HB3' ' A' ' 69' ' ' TRP . 1.2 mttm -138.06 -177.64 4.92 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.587 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 66' ' ' VAL . 45.1 t -110.14 -82.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.891 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.591 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.607 0.242 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -51.75 167.44 0.43 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.641 2.227 . . . . 0.0 112.154 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -167.4 154.47 8.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -147.53 135.9 21.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -77.48 145.25 37.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.571 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -134.93 132.05 38.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' B' ' 8' ' ' ASP . 0.2 OUTLIER -96.6 156.84 16.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.65 145.83 34.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.47 123.32 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -113.79 115.04 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -122.7 136.11 60.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.494 ' OE1' HD22 ' A' ' 72' ' ' LEU . 1.9 mt-30 -141.48 97.3 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.402 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.467 HG22 ' N ' ' B' ' 15' ' ' VAL . 7.3 p -153.39 155.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.64 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 2.3 p -138.16 144.39 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.506 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' B' ' 15' ' ' VAL . . . 77.05 159.67 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.586 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.14 -62.66 0.03 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.36 -171.87 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.543 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -142.43 138.92 31.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.712 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.556 HG13 ' CD ' ' B' ' 41' ' ' GLU . 95.1 t -136.36 141.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.28 152.8 19.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.589 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 t -136.1 165.09 30.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.365 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -133.9 120.05 19.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.409 HG23 HG22 ' B' ' 35' ' ' VAL . 1.3 mt -132.19 151.36 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.99 107.47 6.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.534 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -84.43 162.27 20.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.568 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.4 p -137.14 -61.68 0.65 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' B' ' 29' ' ' GLU . 28.4 mt-10 -82.39 0.29 42.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' B' ' 28' ' ' GLU . 8.5 tt0 77.2 18.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -155.16 -38.54 0.02 OUTLIER Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.17 149.33 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.722 0.296 . . . . 0.0 110.64 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.645 ' O ' HG13 ' B' ' 32' ' ' VAL . 13.2 p -107.54 111.43 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.729 HG13 ' H ' ' B' ' 34' ' ' THR . 7.5 p -52.78 -59.6 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.952 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.729 ' H ' HG13 ' B' ' 33' ' ' VAL . 98.7 m -151.38 163.32 39.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.737 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.588 ' N ' HG22 ' B' ' 34' ' ' THR . 89.3 t -136.01 135.23 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.523 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -132.88 87.61 2.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.479 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.13 147.99 51.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.635 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.18 106.49 0.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -71.2 -17.09 62.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.738 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.6 -64.2 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.556 ' CD ' HG13 ' B' ' 20' ' ' VAL . 1.5 pp20? -54.56 -26.94 35.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' OE2' ' B' ' 41' ' ' GLU . 1.3 m -75.19 -43.26 53.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.712 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -66.79 -44.9 80.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.579 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' B' ' 44' ' ' GLU . 0.4 OUTLIER -67.66 -37.69 82.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' B' ' 41' ' ' GLU . 1.4 mm -63.28 -55.26 24.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.34 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -47.69 -18.86 0.73 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -81.36 -41.65 21.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.692 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.91 4.8 24.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 29.1 p -130.83 -40.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.28 -25.53 27.4 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.8 mm -55.47 128.86 68.8 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.679 ' O ' HG23 ' B' ' 56' ' ' VAL . 72.0 Cg_exo -42.04 157.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.749 1.633 . . . . 0.0 111.619 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.23 -54.8 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.322 2.014 . . . . 0.0 112.077 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -51.18 -54.84 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.444 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -51.01 -42.11 60.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.615 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 52' ' ' PRO . 97.1 t -67.92 -47.84 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 110.505 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -47.36 -44.61 24.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.99 -58.74 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' B' ' 59' ' ' MET . 10.2 tmm? -44.19 -32.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.504 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.7 t -82.5 -51.49 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.797 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.74 -44.49 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.34 97.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.402 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -47.45 -63.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.67 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.32 -26.92 32.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.717 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -63.95 -28.7 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.665 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.53 -2.53 6.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 51.76 95.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.46 -172.62 29.05 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -107.61 166.61 10.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.776 0.322 . . . . 0.0 110.622 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.448 HG22 HG23 ' B' ' 77' ' ' ILE . 96.8 t -142.85 133.16 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.2 OUTLIER -109.55 113.02 25.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.501 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -79.65 -54.17 6.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.74 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -58.82 -2.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.686 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.6 mt-10 -136.99 -8.91 1.8 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' B' ' 71' ' ' ASP . 5.3 mtt-85 51.99 79.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.89 145.79 28.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.571 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.448 HG23 HG22 ' B' ' 70' ' ' VAL . 16.5 mt -139.25 116.23 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -137.93 163.55 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -179.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' ' 2' ' ' VAL . 7.4 p . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.468 0.175 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -82.65 98.21 0.89 Allowed 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.665 2.243 . . . . 0.0 112.259 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.99 175.74 0.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.385 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -167.36 144.11 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -99.65 153.56 18.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.568 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -127.45 127.03 43.41 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -102.85 95.38 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.775 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.16 124.79 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.497 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -97.42 123.39 41.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.71 107.35 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.342 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 12' ' ' VAL . 25.4 m -97.85 103.89 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.763 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -113.69 95.35 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.083 0.468 . . . . 0.0 110.347 179.58 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -152.99 151.86 11.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 15' ' ' VAL . 33.8 m -140.44 116.98 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.433 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.651 ' O ' HG12 ' B' ' 12' ' ' VAL . . . 172.64 157.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.18 -169.52 40.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -83.91 -175.81 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.615 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -146.0 112.6 5.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -96.16 140.41 17.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.13 132.05 34.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.645 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 t -142.44 126.62 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -102.35 120.7 40.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.784 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.606 HD11 ' HB1' ' A' ' 64' ' ' ALA . 1.3 mt -124.75 125.35 69.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.486 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.597 ' HB3' HG11 ' A' ' 33' ' ' VAL . . . -98.21 112.28 24.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.99 146.35 30.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.517 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.0 p -105.48 -169.68 1.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.8 9.51 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -96.63 -27.86 14.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.469 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.39 38.15 2.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.19 152.86 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.519 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 32' ' ' VAL . 13.9 p -107.36 128.08 62.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.682 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.97 HG13 ' H ' ' A' ' 34' ' ' THR . 2.4 p -66.97 -95.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.507 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.97 ' H ' HG13 ' A' ' 33' ' ' VAL . 19.7 m -138.87 121.77 16.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.803 0.335 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 m -74.53 146.9 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -132.67 127.14 34.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.475 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.76 144.33 51.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.7 tt0 -65.11 121.57 15.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.669 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 45.2 p90 -74.12 -14.08 60.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.678 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.576 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -76.45 -64.57 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -53.41 -31.62 45.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.518 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 92.6 m -66.98 -50.75 61.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -49.91 36.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.92 -31.42 28.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.664 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -73.78 -40.67 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.82 -31.29 38.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.73 -20.28 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.63 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -87.12 -36.02 18.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.688 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.2 p -88.39 -50.19 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.06 33.98 5.83 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.69 155.65 69.36 Favored Pre-proline 0 N--CA 1.464 0.227 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -35.44 99.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.892 2.395 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.2 -23.06 12.31 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.303 2.002 . . . . 0.0 112.017 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -66.57 -52.63 43.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -58.8 -34.89 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 60' ' ' VAL . 48.9 t -52.8 -56.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -51.22 -54.84 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.66 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.64 84.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.489 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 59' ' ' MET . 8.5 tmm? -64.03 -45.01 90.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.534 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 95.8 t -60.25 -64.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.665 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -43.4 -56.71 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.7 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.99 -33.96 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.417 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 60' ' ' VAL . . . -68.35 -58.51 4.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.729 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.606 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -49.04 -20.46 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.635 ' HE ' ' CA ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -78.99 -41.9 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.916 -179.704 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.14 -6.44 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.878 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 156.11 -94.48 0.14 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.514 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 150.96 72.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.227 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.403 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 8.5 t-105 -160.34 135.97 8.24 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.7 t -148.04 146.06 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 111.177 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -123.71 112.41 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.782 179.224 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.477 ' C ' ' N ' ' A' ' 74' ' ' GLU . 7.6 mp -77.63 -22.52 50.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.609 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -47.82 -13.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' C ' ' A' ' 72' ' ' LEU . 1.8 tm-20 -173.75 14.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 57.12 97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.642 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -145.99 117.29 7.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.1 mm -84.02 103.95 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -113.24 165.46 12.39 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.163 0.506 . . . . 0.0 110.671 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.11 143.06 25.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.219 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.492 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -83.42 137.83 8.3 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.646 2.23 . . . . 0.0 112.174 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 82.5 p -97.24 147.57 23.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -139.5 139.57 36.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -100.56 145.64 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.606 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -117.83 128.81 55.21 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.509 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.402 ' OD2' ' N ' ' B' ' 8' ' ' ASP . 3.9 m-20 -100.17 88.69 3.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.659 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.24 126.65 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -101.69 123.3 45.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.773 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.4 t -112.08 106.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.626 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 16' ' ' ALA . 2.4 m -103.06 142.1 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -145.04 94.42 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.308 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.4 152.2 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.662 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.559 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 1.0 OUTLIER -139.58 106.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.601 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 169.62 147.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.16 -166.36 31.47 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -77.45 -177.18 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.624 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -151.36 119.68 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.707 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.422 HG22 ' N ' ' B' ' 21' ' ' SER . 7.2 p -104.46 153.54 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.422 ' N ' HG22 ' B' ' 20' ' ' VAL . 45.0 t -102.86 125.76 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.491 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.05 142.45 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.587 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -102.67 129.71 49.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.556 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.778 HD11 ' HB1' ' B' ' 64' ' ' ALA . 6.8 mt -135.35 127.37 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.3 104.22 15.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -100.66 128.91 46.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.592 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 3.4 t -88.62 -169.3 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.569 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.519 ' N ' ' OG1' ' B' ' 27' ' ' THR . 3.3 tp10 -80.06 26.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.402 ' H ' HG23 ' B' ' 27' ' ' THR . 1.0 OUTLIER -124.75 15.7 8.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.623 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.87 17.32 1.46 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -102.92 159.41 15.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.775 0.321 . . . . 0.0 110.502 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.709 ' O ' HG13 ' B' ' 32' ' ' VAL . 7.4 p -107.51 96.74 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.417 ' H ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -52.2 -59.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.719 -179.836 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.23 163.5 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.709 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.23 141.93 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.379 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -131.47 98.41 4.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.6 158.54 29.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.76 122.17 28.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 0.67 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 32.6 p90 -77.64 -9.52 59.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.67 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 14.5 m-20 -77.68 -64.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 12.1 mt-10 -57.36 -35.77 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.602 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -46.31 90.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -71.8 -34.3 69.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.58 -54.74 31.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.521 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.416 ' C ' ' N ' ' B' ' 47' ' ' GLU . 85.8 mt -68.73 -28.54 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.42 -18.96 0.38 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' B' ' 45' ' ' ILE . 0.5 OUTLIER -77.64 -42.43 34.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.757 0.313 . . . . 0.0 110.506 -179.833 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.53 -22.51 66.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.651 HG22 HD21 ' B' ' 72' ' ' LEU . 19.5 p -84.69 -50.08 7.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.64 -9.97 68.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.2 156.33 35.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.357 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -38.85 158.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.213 1.942 . . . . 0.0 111.806 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -71.94 -49.03 0.33 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.249 1.966 . . . . 0.0 112.056 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -47.64 -54.71 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.528 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -44.53 -38.36 4.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.573 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.26 -54.19 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.649 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -45.98 -41.3 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.93 91.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.626 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.554 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -69.44 -42.1 75.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.766 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 68.2 t -73.45 -30.91 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.662 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.48 -57.83 5.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.484 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.64 57.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -55.5 -62.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.778 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -43.37 -33.81 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.608 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -60.79 -44.0 97.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.463 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -1.72 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.51 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 46.1 96.36 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.57 -174.89 33.95 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -104.68 160.32 15.06 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.029 0.442 . . . . 0.0 110.406 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.554 HG21 ' SD ' ' B' ' 59' ' ' MET . 22.3 t -137.47 148.88 25.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.6 113.06 20.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.651 HD21 HG22 ' B' ' 49' ' ' THR . 1.3 mp -67.83 -61.04 2.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.694 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -75.45 49.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.604 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -177.88 -23.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.508 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 57.16 75.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.654 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -138.06 159.19 42.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.467 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mt -138.27 103.64 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.667 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' LYS . . . . . 0.445 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 2.8 mmtm -97.67 158.67 15.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.481 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 13.1 t -101.12 141.42 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.637 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.542 0.21 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.24 108.25 1.53 Allowed 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.573 2.182 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.84 153.25 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -138.37 120.97 16.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.673 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -86.56 136.83 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -110.3 128.97 55.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.487 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.487 ' OD1' ' NH1' ' B' ' 19' ' ' ARG . 2.0 m-20 -101.66 100.1 10.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.639 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 9' ' ' VAL . 1.6 t -79.99 160.68 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.562 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ttm105 -134.94 122.98 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -112.54 111.26 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.12 148.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.749 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.03 95.55 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.37 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.23 148.4 22.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.586 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.8 144.47 17.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.515 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.02 159.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.43 -92.1 0.33 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -70.49 169.03 14.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.773 0.321 . . . . 0.0 110.646 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.34 115.31 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.525 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 21' ' ' SER . 46.0 t -95.08 158.4 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.508 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.489 ' N ' HG12 ' A' ' 20' ' ' VAL . 16.2 t -127.62 120.99 29.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.691 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 23' ' ' LYS . 43.8 t -110.07 157.39 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.441 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' N ' HG12 ' A' ' 22' ' ' VAL . 46.5 mttp -132.64 110.72 10.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.451 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -99.16 141.58 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.604 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.92 101.77 12.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -95.26 134.32 38.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.501 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.55 -61.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.611 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -94.75 18.14 12.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.513 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 54.52 14.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.1 -44.43 0.18 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.35 149.17 27.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.704 ' O ' HG13 ' A' ' 32' ' ' VAL . 8.1 p -107.38 97.57 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 34' ' ' THR . 7.2 p -49.15 -56.74 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.682 ' N ' HG13 ' A' ' 33' ' ' VAL . 3.4 m -151.28 157.55 42.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.816 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.45 148.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.356 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -132.93 114.6 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.531 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.09 149.47 21.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -64.92 99.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.719 ' CZ ' ' OD2' ' A' ' 40' ' ' ASP . 24.7 p90 -58.6 -41.22 85.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.6 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.719 ' OD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -46.89 -56.31 6.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.648 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HG3' HG22 ' A' ' 20' ' ' VAL . 4.4 tm-20 -56.93 -60.07 4.12 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.138 0.494 . . . . 0.0 110.492 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 41' ' ' GLU . 4.5 m -41.16 -38.09 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.974 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -38.8 29.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.698 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -66.72 -60.78 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -49.81 -31.89 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.424 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.61 -19.08 18.23 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -84.02 -39.05 20.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 3.0 mm-40 -74.0 -24.72 59.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -84.98 -49.6 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.45 15.72 42.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.5 156.87 69.85 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -39.85 144.91 0.31 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.304 2.003 . . . . 0.0 111.928 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.7 -5.15 15.76 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.252 1.968 . . . . 0.0 112.456 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -57.04 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.359 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.01 -23.05 30.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.711 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 t -83.04 -52.4 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.641 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' C ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -45.53 -52.06 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.373 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.15 -56.14 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.698 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 59' ' ' MET . 11.3 tmm? -41.29 -51.48 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 90.6 t -63.36 -51.78 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -53.35 -48.82 68.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.421 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.68 -37.4 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.485 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -59.93 -63.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.13 -21.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -73.51 -47.26 42.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -106.82 2.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.805 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 45.47 97.95 0.01 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.85 -148.54 5.22 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -133.58 161.38 34.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.91 154.05 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.49 112.31 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.078 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.5 mp -74.86 1.04 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.965 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -40.83 -26.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.489 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LEU . 20.2 pt-20 -173.39 30.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.337 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 60.64 79.46 0.24 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.646 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.43 150.24 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.93 121.35 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.17 132.58 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -89.12 -163.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.637 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.533 0.3 0 CA-C-O 120.578 0.228 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -51.1 145.18 26.44 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.437 2.091 . . . . 0.0 112.179 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.6 p -132.69 126.3 32.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.454 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.1 140.27 38.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.552 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -99.18 136.67 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.41 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.77 167.07 11.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.54 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -138.39 143.96 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.91 117.95 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -89.89 146.27 24.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.21 130.17 51.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.533 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.712 HG23 ' O ' ' B' ' 12' ' ' VAL . 32.3 m -134.12 98.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.701 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -105.15 94.72 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.228 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.406 HG12 ' N ' ' B' ' 15' ' ' VAL . 91.6 t -152.14 152.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.583 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.591 ' O ' HG23 ' B' ' 15' ' ' VAL . 27.8 m -121.69 118.75 56.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.443 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.17 173.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.72 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.57 159.57 7.98 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -98.57 -168.57 1.66 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.448 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.487 ' NH1' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -145.68 154.39 42.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.476 HG11 HG11 ' B' ' 60' ' ' VAL . 51.5 t -134.27 148.1 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.348 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -102.12 141.02 35.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.521 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 5.8 t -139.33 126.13 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.569 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -101.26 111.43 23.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.65 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.583 HG23 HG12 ' B' ' 35' ' ' VAL . 0.3 OUTLIER -118.03 137.78 50.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.444 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.586 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -99.67 117.4 33.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -107.15 141.92 37.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.522 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p -96.63 -165.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -88.39 -48.18 7.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.619 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' B' ' 29' ' ' GLU . 1.9 mp0 -48.75 -23.77 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.63 19.49 17.73 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -101.37 155.85 17.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.445 ' O ' HG13 ' B' ' 32' ' ' VAL . 8.7 p -107.55 127.69 63.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.92 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -75.49 -97.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.92 ' H ' HG13 ' B' ' 33' ' ' VAL . 2.2 m -134.72 143.5 47.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.54 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.583 HG12 HG23 ' B' ' 24' ' ' ILE . 3.2 m -98.59 136.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.581 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.7 96.49 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.69 142.98 38.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -61.71 106.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' PHE . . . . . 1.058 ' HD1' ' NH1' ' B' ' 43' ' ' ARG . 47.0 p90 -65.0 -4.41 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 2.6 m-20 -76.83 -64.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.661 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.59 -25.53 68.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -40.65 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.636 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 1.058 ' NH1' ' HD1' ' B' ' 39' ' ' PHE . 6.2 ttm-85 -65.88 -56.43 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.94 -25.57 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.2 mm -76.86 -24.65 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.42 -24.14 61.18 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 0.426 ' OE2' ' N ' ' B' ' 47' ' ' GLU . 4.7 mp0 -79.05 -20.13 49.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.527 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -87.19 -36.07 18.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.66 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 53.6 p -84.94 -46.74 10.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.43 -21.78 39.9 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.32 156.42 62.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -38.79 157.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.43 0 C-N-CA 122.37 2.047 . . . . 0.0 111.863 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.48 -56.15 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.345 2.03 . . . . 0.0 112.11 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -43.9 -52.07 7.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.01 -42.9 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.632 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.3 t -65.89 -42.61 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -59.45 -40.83 88.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.776 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.11 -59.96 2.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.638 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' MET . . . . . 0.488 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -51.71 -43.84 62.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.476 HG11 HG11 ' B' ' 20' ' ' VAL . 59.3 t -72.61 -39.35 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.76 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.16 -54.87 42.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.884 0.373 . . . . 0.0 110.355 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.78 -51.06 54.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.482 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -43.75 -55.07 4.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.616 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.71 -30.34 21.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.538 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -72.17 -31.56 66.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.784 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 m -103.78 -9.81 9.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.712 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 54.29 81.3 0.06 OUTLIER Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.422 ' C ' ' CE3' ' B' ' 69' ' ' TRP . . . -161.31 -174.92 31.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' TRP . . . . . 0.556 ' CD2' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -105.98 170.09 8.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 110.494 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' B' ' 59' ' ' MET . 8.0 t -140.02 140.66 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.53 113.09 25.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 mp -72.14 -51.44 21.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.537 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -74.32 34.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.3 mm-40 -170.59 -10.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.541 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ARG . . . . . 0.445 ' H ' ' H ' ' B' ' 74' ' ' GLU . 28.0 mtt85 48.21 80.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.88 0.371 . . . . 0.0 110.635 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -145.55 161.61 39.37 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.474 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -133.22 76.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.487 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 113.38 1.02 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.626 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' B' ' 80' ' ' GLN . 1.3 p -100.66 142.62 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.424 ' CB ' ' O ' ' B' ' 79' ' ' VAL . 2.1 tt0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo . . . . . 0 N--CA 1.494 1.525 0 CA-C-O 120.839 0.266 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.26 133.2 33.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.627 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.44 ' NH2' ' OE2' ' B' ' 26' ' ' GLU . 5.7 mmm-85 -105.2 146.87 28.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -124.56 149.6 46.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.548 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.39 131.75 51.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.406 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.5 87.03 5.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.605 HG12 ' N ' ' A' ' 10' ' ' ARG . 59.8 t -76.0 165.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.605 ' N ' HG12 ' A' ' 9' ' ' VAL . 1.6 ttm180 -137.6 133.88 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.682 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.21 109.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.323 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 12' ' ' VAL . 27.1 m -102.93 125.81 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -126.19 100.39 6.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.419 ' O ' ' OE2' ' B' ' 74' ' ' GLU . 2.6 t -146.08 155.45 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.674 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.638 ' O ' HG13 ' A' ' 15' ' ' VAL . 11.7 p -134.6 115.81 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 172.29 -177.38 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.04 135.61 2.63 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -93.6 149.78 20.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.671 0.272 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -106.54 150.65 25.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.536 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.567 HG22 ' OE2' ' A' ' 41' ' ' GLU . 59.6 t -124.34 141.47 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.07 136.57 42.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.5 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -136.49 141.59 40.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.8 126.01 49.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.5 mt -133.71 115.34 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.32 138.15 31.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.56 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -133.36 158.52 42.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.82 -73.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.675 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -76.86 15.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.603 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 54.45 30.62 13.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.479 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.42 -33.94 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -101.89 133.32 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.69 0.281 . . . . 0.0 110.597 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 32' ' ' VAL . 12.0 p -107.41 109.17 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.726 HG13 ' H ' ' A' ' 34' ' ' THR . 7.4 p -53.81 -59.91 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.726 ' H ' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -151.27 163.58 38.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.641 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 35' ' ' VAL . 22.4 m -138.66 115.73 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.409 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -113.39 139.84 48.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.758 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.78 146.05 35.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -59.69 107.94 0.67 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.568 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -70.19 -16.6 63.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.449 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.2 -63.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.567 ' OE2' HG22 ' A' ' 20' ' ' VAL . 1.3 pp20? -55.77 -23.16 28.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.608 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.0 m -77.31 -39.52 47.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -34.49 76.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.51 -28.34 56.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.5 mm -74.79 -24.71 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.592 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.28 -27.5 65.5 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.09 -30.78 68.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 110.468 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.63 -32.3 32.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.595 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -85.21 -50.03 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.5 -18.85 54.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -85.8 156.65 58.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -38.7 157.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.319 2.013 . . . . 0.0 111.884 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.89 -47.91 0.54 Allowed 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.277 1.985 . . . . 0.0 112.254 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.9 ttp85 -52.17 -48.89 64.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.601 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -47.6 -36.34 10.59 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.68 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.63 -37.05 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -61.63 -54.01 48.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -25.8 67.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 59' ' ' MET . 10.3 tmm? -78.75 -51.16 10.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.485 HG11 HG11 ' A' ' 20' ' ' VAL . 71.5 t -74.09 -13.36 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -79.84 -62.33 1.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.35 -35.59 39.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -67.42 -38.76 85.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.565 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.19 -21.74 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -78.19 -41.89 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.567 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -100.25 -0.36 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.492 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 48.74 99.07 0.01 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.47 ' O ' HG13 ' B' ' 9' ' ' VAL . . . -160.97 178.92 36.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.538 ' HE1' ' CB ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -102.83 174.23 5.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.939 0.399 . . . . 0.0 110.392 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 t -142.84 143.94 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.7 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.49 ' OD2' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -127.95 112.85 15.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.384 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mp -76.49 -16.32 59.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -53.67 -23.97 12.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.24 20.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.456 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 46.0 75.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -133.03 165.4 24.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.58 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.0 mt -144.57 130.6 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.538 ' CB ' ' HE1' ' A' ' 69' ' ' TRP . 16.8 mmtm -137.54 160.15 39.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.517 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 1.4 t -75.26 159.5 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.538 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.603 HG22 ' O ' ' B' ' 2' ' ' VAL . 2.1 p . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.112 0.482 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.65 161.58 14.45 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.498 2.132 . . . . 0.0 112.134 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -127.64 177.23 6.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.574 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -160.92 142.27 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.716 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -102.12 146.67 27.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.527 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.39 131.23 56.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.657 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -98.34 148.34 23.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.671 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 68' ' ' GLY . 59.0 t -138.97 129.1 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -97.09 123.41 40.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.539 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.17 108.07 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.488 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -104.08 157.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -157.69 95.47 1.43 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.332 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 p -130.56 123.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.661 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 23.8 m -135.48 144.35 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' B' ' 15' ' ' VAL . . . 78.79 154.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.87 -140.61 5.9 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -83.22 179.24 7.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.439 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -146.32 148.94 32.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.705 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.617 HG11 HG21 ' B' ' 60' ' ' VAL . 24.5 t -137.72 131.89 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.9 m -98.41 122.84 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.522 HG12 ' N ' ' B' ' 23' ' ' LYS . 70.2 t -102.33 159.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.522 ' N ' HG12 ' B' ' 22' ' ' VAL . 29.8 tttp -122.32 128.49 51.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.565 HG23 HG12 ' B' ' 35' ' ' VAL . 8.6 mt -136.5 119.69 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.557 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -88.78 101.81 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.44 ' OE2' ' NH2' ' A' ' 5' ' ' ARG . 3.6 tt0 -106.89 129.64 54.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.3 p -85.87 175.01 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.422 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.49 -49.14 77.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.45 -29.88 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.48 28.71 6.6 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.59 147.97 24.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.734 0.302 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.573 ' O ' HG13 ' B' ' 32' ' ' VAL . 9.6 p -107.58 118.87 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.595 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.932 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -76.94 -94.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.331 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.932 ' H ' HG13 ' B' ' 33' ' ' VAL . 6.0 m -135.35 138.5 43.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.47 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.565 HG12 HG23 ' B' ' 24' ' ' ILE . 4.3 m -98.93 131.21 46.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.71 107.34 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.551 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.26 135.35 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -41.65 118.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -73.32 -22.81 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.626 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.466 ' CG ' ' N ' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -69.52 -61.06 1.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.866 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' B' ' 40' ' ' ASP . 6.2 pt-20 -59.42 -25.69 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.739 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 35.4 m -81.87 -16.17 51.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.67 -53.39 7.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.571 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.7 -41.81 98.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.546 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mm -58.75 -26.33 31.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.402 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.11 -18.62 78.3 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -84.2 -33.01 24.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.947 0.403 . . . . 0.0 110.651 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -85.63 -20.91 28.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.656 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 66.3 p -98.14 -42.36 7.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.539 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.31 28.73 9.49 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 mt -125.53 132.43 24.31 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -40.46 157.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.678 1.585 . . . . 0.0 111.728 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -71.33 -54.39 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.355 2.037 . . . . 0.0 112.068 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -49.28 -44.12 43.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.505 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -36.8 81.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.396 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 68.5 t -73.44 -34.63 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.599 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -61.8 -48.75 79.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.5 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.58 -29.32 70.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.523 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 10.3 tmm? -73.07 -63.47 1.17 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.643 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.617 HG21 HG11 ' B' ' 20' ' ' VAL . 9.1 p -59.57 -28.63 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.63 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' B' ' 62' ' ' ALA . 4.3 tm-20 -63.51 -61.59 2.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.505 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.47 ' N ' ' CD ' ' B' ' 61' ' ' GLU . . . -48.57 -27.36 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -67.12 -62.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.79 -24.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' B' ' 63' ' ' ALA . 7.5 tpp180 -73.69 -44.1 57.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.79 1.75 10.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 43.54 92.45 0.01 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.33 -175.11 33.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -103.85 159.23 15.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.678 0.275 . . . . 0.0 110.614 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.35 141.22 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.672 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -113.5 121.86 45.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.529 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 mp -88.03 -58.37 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.743 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -62.07 1.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' B' ' 72' ' ' LEU . 15.8 mm-40 -132.93 -18.66 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.559 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 55.83 61.55 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.495 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -139.85 157.5 45.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.736 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 mt -139.94 128.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -146.7 166.61 26.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.547 HG22 ' N ' ' B' ' 80' ' ' GLN . 3.4 p -137.45 160.74 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.547 ' N ' HG22 ' B' ' 79' ' ' VAL . 2.7 pt20 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.484 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 N--CA 1.491 1.373 0 CA-C-O 120.771 0.238 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -101.51 150.31 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.485 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -158.02 134.06 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.571 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.461 ' HE1' ' OD1' ' A' ' 8' ' ' ASP . 54.6 p90 -86.3 146.1 26.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.523 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -110.34 130.17 55.6 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.662 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' OD1' ' HE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -100.56 103.41 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.611 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.6 t -76.91 129.1 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.691 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -90.54 124.15 34.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.14 126.47 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 m -134.3 138.36 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.23 97.6 4.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 p -154.38 151.01 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.679 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.656 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -140.29 143.51 29.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.568 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . 77.74 158.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.62 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.87 -74.46 0.06 OUTLIER Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -138.11 145.0 41.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -138.87 130.23 27.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.67 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 21' ' ' SER . 6.1 p -98.23 158.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.517 ' N ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -94.45 130.53 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.7 t -142.97 133.39 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.868 ' NZ ' ' HB2' ' A' ' 25' ' ' ALA . 6.3 tmtm? -98.12 105.98 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.459 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 mt -111.9 120.07 61.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.66 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.868 ' HB2' ' NZ ' ' A' ' 23' ' ' LYS . . . -102.49 123.74 46.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.62 166.9 12.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.406 ' OG1' ' CG2' ' A' ' 33' ' ' VAL . 5.4 m -148.32 -50.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -95.62 17.01 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.435 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 53.9 16.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.01 -34.1 0.02 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -101.3 150.32 23.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.784 0.326 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 32' ' ' VAL . 14.1 p -107.63 108.15 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.384 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.406 ' CG2' ' OG1' ' A' ' 27' ' ' THR . 74.2 t -53.7 -59.6 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 p -148.84 163.75 36.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.595 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.4 m -133.15 146.12 32.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.629 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 113.77 13.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.945 0.402 . . . . 0.0 110.463 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.2 147.67 26.36 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.594 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.09 124.47 32.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -73.49 -28.28 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.69 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.84 -64.49 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -55.7 28.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.6 m -48.03 -41.57 25.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -65.47 -19.32 65.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.506 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -55.82 4.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.7 mp -46.97 -36.62 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.512 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.17 -26.62 72.53 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -76.44 -32.3 58.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.549 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -83.94 -40.61 18.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.681 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.9 p -84.97 -46.05 11.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.541 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.96 29.16 6.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mt -110.78 131.8 21.93 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.571 ' O ' HG23 ' A' ' 56' ' ' VAL . 71.1 Cg_exo -40.75 157.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 C-N-CA 121.862 1.708 . . . . 0.0 111.731 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -72.04 -57.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.314 2.009 . . . . 0.0 111.98 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.02 -37.85 7.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.601 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -68.89 -39.94 79.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.615 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 52' ' ' PRO . 61.3 t -77.78 -26.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.634 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -66.5 -43.08 86.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.97 -24.66 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.519 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.621 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -76.64 -43.55 37.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.486 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.4 t -75.94 -33.27 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -72.66 -43.19 63.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.453 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.13 77.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.444 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.42 -49.81 76.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.25 -23.61 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -74.2 -47.51 35.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -97.03 1.51 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 51.37 97.88 0.01 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.3 -155.19 8.22 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.692 ' CZ3' ' HB2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -136.79 169.23 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.567 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.621 HG21 ' SD ' ' A' ' 59' ' ' MET . 46.3 t -133.15 157.28 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -141.96 113.08 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' GLU . 10.0 mp -75.51 -22.1 57.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -43.18 -20.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -168.95 28.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.539 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 42.16 87.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.658 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -140.03 161.83 36.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.1 mt -137.04 125.75 35.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.692 ' HB2' ' CZ3' ' A' ' 69' ' ' TRP . 55.5 mttt -141.65 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.646 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 79' ' ' VAL . 2.5 p -141.07 -9.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.534 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.561 ' O ' HG12 ' B' ' 2' ' ' VAL . 76.9 t . . . . . 0 N--CA 1.467 0.385 0 CA-C-O 120.695 0.283 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -52.0 157.27 6.22 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.562 2.175 . . . . 0.0 112.041 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 3.1 p -167.12 131.86 2.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.47 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -170.16 149.09 3.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -77.04 142.07 40.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.696 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -110.14 157.58 19.24 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.17 109.36 11.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -82.15 119.61 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.514 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.605 HH22 HG11 ' B' ' 12' ' ' VAL . 0.8 OUTLIER -72.43 126.1 29.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.682 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.19 88.59 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.573 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.605 HG11 HH22 ' B' ' 10' ' ' ARG . 4.4 m -101.24 153.04 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.54 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.71 95.04 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.629 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 t -96.49 154.28 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.511 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.36 124.55 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.05 176.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.657 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.8 -136.75 3.29 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.26 126.18 34.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.314 . . . . 0.0 110.598 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.95 127.72 48.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.681 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.69 HG11 HG11 ' B' ' 60' ' ' VAL . 43.0 t -102.68 132.87 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.53 125.38 31.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.651 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 69.9 t -140.2 117.02 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.468 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.31 130.91 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.54 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.558 HG23 HG12 ' B' ' 35' ' ' VAL . 2.6 mt -137.03 132.26 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.726 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.06 99.09 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -100.32 147.78 25.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -99.83 -155.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.445 ' N ' ' OG1' ' B' ' 27' ' ' THR . 51.5 mt-10 -94.92 23.14 5.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -138.72 19.55 2.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.455 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.02 36.93 76.36 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -103.29 133.85 47.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.512 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.677 ' O ' HG13 ' B' ' 32' ' ' VAL . 7.2 p -107.64 89.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.481 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.66 HG13 ' N ' ' B' ' 34' ' ' THR . 7.3 p -49.02 -55.47 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.66 ' N ' HG13 ' B' ' 33' ' ' VAL . 1.4 m -151.15 163.6 38.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.595 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.558 HG12 HG23 ' B' ' 24' ' ' ILE . 18.1 m -134.08 149.97 30.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.499 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -132.64 85.02 2.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.43 114.43 9.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.431 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.439 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 0.4 OUTLIER -41.96 115.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.495 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -77.36 -10.13 59.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.633 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.73 -64.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.526 ' N ' ' OE2' ' B' ' 41' ' ' GLU . 1.6 mm-40 -60.4 -42.46 95.99 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.602 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 78.6 m -56.3 -38.75 71.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -56.17 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.409 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -47.14 -60.12 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.28 -20.25 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.51 -30.68 34.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.91 -36.99 84.91 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.847 0.356 . . . . 0.0 110.669 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.44 -25.27 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.689 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.744 HG22 HD21 ' B' ' 72' ' ' LEU . 71.9 p -85.06 -49.87 7.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.42 -23.52 33.94 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -85.72 156.74 58.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -39.35 157.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 122.355 2.036 . . . . 0.0 111.833 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.94 -56.79 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.379 2.052 . . . . 0.0 112.005 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -43.86 -50.35 7.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.623 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -47.02 -37.1 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.646 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 72.6 t -78.38 -38.05 22.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.745 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -55.28 -47.64 75.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.603 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.37 76.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' B' ' 59' ' ' MET . 14.3 tmm? -70.26 -43.19 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.597 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.69 HG11 HG11 ' B' ' 20' ' ' VAL . 84.4 t -76.88 -31.5 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.677 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -72.7 -51.69 18.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.557 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.66 -37.07 65.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -57.88 -63.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.12 -25.26 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -47.45 74.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -2.39 9.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.662 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 50.69 101.56 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.34 -153.11 6.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.539 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -127.54 162.26 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 110.461 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.455 HG12 ' N ' ' B' ' 71' ' ' ASP . 54.6 t -138.34 156.7 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.477 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.5 OUTLIER -135.68 113.17 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.415 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.744 HD21 HG22 ' B' ' 49' ' ' THR . 2.6 mp -72.2 -53.72 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -72.4 43.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' B' ' 72' ' ' LEU . 1.5 tm-20 -175.57 -23.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 58.51 70.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.521 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -138.82 147.44 42.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.461 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -140.55 119.19 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -138.11 167.01 22.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.43 ' O ' ' NE1' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -86.96 -176.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.539 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo . . . . . 0 N--CA 1.492 1.397 0 CA-C-O 120.843 0.268 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 p -78.66 140.52 38.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.563 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -119.49 135.18 54.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.485 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -103.2 153.35 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -127.67 125.33 39.88 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -103.11 110.04 21.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.0 t -103.03 110.98 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -78.51 123.41 27.03 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.616 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -113.33 125.32 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.826 HG11 ' O ' ' B' ' 15' ' ' VAL . 15.3 m -133.26 168.34 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -155.71 95.28 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.438 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 15' ' ' VAL . 8.6 p -154.31 155.87 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.464 ' N ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -139.29 107.46 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.431 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.5 168.08 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.13 169.44 39.66 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -171.24 3.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.865 0.365 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -150.51 150.92 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.633 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.78 143.42 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.6 m -95.92 140.42 30.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 36' ' ' LYS . 65.7 t -137.6 139.13 43.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -105.95 129.27 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.463 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.551 HD11 ' HB1' ' A' ' 64' ' ' ALA . 15.0 mt -139.01 121.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.551 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.44 139.38 35.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.669 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -133.38 163.74 28.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.48 ' C ' ' H ' ' A' ' 29' ' ' GLU . 71.0 p -133.9 -76.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' OG1' ' A' ' 27' ' ' THR . 30.3 mt-10 -69.4 9.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.616 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.1 mt-10 60.23 13.29 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.18 -31.91 0.19 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.98 139.52 38.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.727 0.299 . . . . 0.0 110.658 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.694 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.2 p -107.56 105.59 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.697 HG13 ' H ' ' A' ' 34' ' ' THR . 7.4 p -52.17 -58.46 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.998 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.697 ' H ' HG13 ' A' ' 33' ' ' VAL . 88.7 m -151.21 163.46 38.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.779 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.573 ' N ' HG22 ' A' ' 34' ' ' THR . 16.4 m -132.42 143.39 40.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.443 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.489 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -128.31 167.7 16.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.7 179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.95 116.04 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.475 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.71 105.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 1.027 ' CD1' ' NH1' ' A' ' 43' ' ' ARG . 45.5 p90 -73.88 -12.69 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.56 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.57 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.556 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -58.44 -46.23 86.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.3 m -49.17 -37.92 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.675 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 1.027 ' NH1' ' CD1' ' A' ' 39' ' ' PHE . 6.4 mtm180 -73.2 -26.43 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.573 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 4.0 mm-40 -82.3 -30.8 30.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.7 mt -75.34 -21.24 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.22 -20.62 69.42 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.27 -19.84 45.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.835 0.35 . . . . 0.0 110.501 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 1.1 mp0 -79.3 -41.01 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -43.16 9.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.31 33.42 6.54 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 pt -125.49 147.71 58.93 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -38.04 157.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.187 1.925 . . . . 0.0 112.118 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' VAL . 56.3 Cg_endo -72.59 -49.87 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.285 1.99 . . . . 0.0 112.063 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -43.73 -45.7 7.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.4 -27.39 67.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' PRO . 40.5 t -82.95 -37.4 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -58.85 -49.69 76.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.365 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.41 81.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' A' ' 59' ' ' MET . 2.9 tmm? -62.06 -46.32 89.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.8 t -69.2 -34.0 61.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.57 -58.88 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.23 -31.96 1.72 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.493 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -63.13 -63.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.551 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -43.53 -23.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.732 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.442 HH11 HG13 ' A' ' 66' ' ' VAL . 1.3 tmm_? -76.33 -45.71 31.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.479 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.442 HG13 HH11 ' A' ' 65' ' ' ARG . 0.1 OUTLIER -99.85 0.76 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.683 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 40.88 94.49 0.01 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.87 -167.73 24.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 1.1 m0 -104.8 168.68 8.9 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.754 0.312 . . . . 0.0 110.543 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.0 t -147.1 136.64 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -102.21 115.88 31.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 74' ' ' GLU . 3.0 mp -63.74 -56.17 17.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -72.29 43.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.482 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -175.99 -17.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.36 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 47.22 64.96 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.504 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -136.02 153.43 51.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.486 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.2 mp -126.41 137.95 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.489 ' NZ ' ' CZ3' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -137.97 149.98 46.61 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.614 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.585 HG12 ' H ' ' A' ' 80' ' ' GLN . 2.7 t -60.27 -134.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.66 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.585 ' H ' HG12 ' A' ' 79' ' ' VAL . 40.3 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.52 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.625 HG22 ' O ' ' B' ' 2' ' ' VAL . 2.1 p . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -83.67 103.19 1.05 Allowed 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.681 2.254 . . . . 0.0 112.06 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -93.15 148.7 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.743 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -145.83 142.69 29.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -86.29 146.66 26.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -110.35 165.88 11.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.375 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -140.04 109.67 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.778 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 80.9 t -100.04 131.76 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.512 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -96.9 123.18 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.656 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.71 100.68 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 20.2 m -86.55 158.17 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.57 137.14 28.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.437 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -80.16 150.35 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.826 ' O ' HG11 ' A' ' 12' ' ' VAL . 7.7 p -140.12 137.53 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.43 169.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . 0.461 ' HA3' HG12 ' A' ' 12' ' ' VAL . . . -163.99 -101.61 0.16 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.67 169.62 10.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.923 0.392 . . . . 0.0 110.51 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -141.56 123.9 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.348 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.677 HG11 HG11 ' B' ' 60' ' ' VAL . 60.5 t -102.0 139.58 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.467 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 8.2 t -101.39 132.44 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 85.4 t -133.61 147.04 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.52 129.18 56.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.1 mt -135.08 132.47 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.35 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.87 128.68 46.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.498 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -133.26 149.5 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.4 p -96.09 -167.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.687 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -99.47 21.64 11.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -132.23 36.16 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.18 60.09 6.45 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -138.51 124.03 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.445 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.632 ' O ' HG13 ' B' ' 32' ' ' VAL . 13.1 p -107.59 115.28 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.6 HG12 ' N ' ' B' ' 34' ' ' THR . 87.8 t -60.3 -98.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.445 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.6 ' N ' HG12 ' B' ' 33' ' ' VAL . 8.1 m -139.1 139.82 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.733 0.302 . . . . 0.0 110.624 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.65 141.58 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.458 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 101.6 5.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.535 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.16 159.93 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -83.61 120.68 26.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.463 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.75 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 35.0 p90 -77.06 -15.61 59.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.75 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 23.8 m-20 -72.09 -54.83 8.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.629 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.49 ' OE2' HG22 ' B' ' 20' ' ' VAL . 1.4 pp20? -65.77 -31.24 72.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . 0.444 ' SG ' ' OE1' ' B' ' 41' ' ' GLU . 0.5 OUTLIER -74.91 -18.63 60.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.579 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -80.84 -34.14 34.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.425 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.07 -33.97 26.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.557 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.486 HG21 HG11 ' B' ' 56' ' ' VAL . 1.9 tp -64.79 -26.85 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.551 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.61 -38.77 94.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.63 -28.06 69.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' B' ' 48' ' ' GLU . 2.1 mm-40 -81.39 -29.76 33.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.644 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 59.3 p -85.07 -49.65 8.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.54 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.75 14.69 33.75 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.54 156.6 70.36 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -38.96 157.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.498 2.132 . . . . 0.0 112.007 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -71.71 -57.1 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.396 2.064 . . . . 0.0 112.208 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -44.01 -53.36 6.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.709 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -43.84 -38.37 3.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.486 HG11 HG21 ' B' ' 45' ' ' ILE . 56.0 t -76.79 -43.74 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -52.65 -48.01 66.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.79 81.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.528 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.3 tmm? -70.93 -44.68 65.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.677 HG11 HG11 ' B' ' 20' ' ' VAL . 73.1 t -74.3 -31.47 28.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.793 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -66.12 -54.94 19.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.368 . . . . 0.0 110.358 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.19 -34.68 61.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -59.44 -62.3 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.661 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.56 -30.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.636 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -42.15 92.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.57 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -102.78 -4.53 9.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.737 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 49.24 93.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.69 -173.41 34.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.88 176.76 5.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.648 0.261 . . . . 0.0 110.693 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.416 HG12 ' N ' ' B' ' 71' ' ' ASP . 21.8 t -145.15 156.06 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.844 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.3 OUTLIER -133.21 113.05 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.181 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.89 -31.69 70.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -47.15 -24.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.489 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.66 -4.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.478 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' B' ' 71' ' ' ASP . 18.8 ttt-85 54.76 77.12 0.22 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.64 145.91 30.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.534 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.99 136.85 45.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.39 135.91 37.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.462 HG22 ' N ' ' B' ' 80' ' ' GLN . 3.4 p -49.43 156.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.423 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.462 ' N ' HG22 ' B' ' 79' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.516 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.486 1.064 0 CA-C-O 120.875 0.281 . . . . 0.0 112.286 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 p -138.66 141.7 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.56 147.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.608 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -84.94 139.76 31.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.609 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -110.5 131.69 54.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.373 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -100.2 112.34 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.718 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.503 HG11 HG23 ' B' ' 60' ' ' VAL . 59.3 t -83.64 139.17 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.489 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.41 123.36 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.597 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -115.48 93.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.133 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 12' ' ' VAL . 28.3 m -78.55 101.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.845 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.14 97.67 7.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.398 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -151.46 151.48 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.771 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.618 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.3 p -140.35 113.23 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 166.92 143.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.707 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.19 167.39 37.48 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -61.92 -178.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.494 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -141.42 127.74 19.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.638 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 21' ' ' SER . 94.7 t -95.76 153.35 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.678 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 20' ' ' VAL . 1.1 m -110.45 108.98 19.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.622 HG12 ' N ' ' A' ' 23' ' ' LYS . 59.2 t -115.65 165.26 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.622 ' N ' HG12 ' A' ' 22' ' ' VAL . 7.1 ttpt -130.23 97.5 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 24' ' ' ILE . 7.1 mt -99.81 132.26 45.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.641 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.669 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -102.69 111.17 23.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -104.5 155.05 19.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -80.22 0.52 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.23 -64.87 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.676 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -174.53 -36.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.13 43.43 1.52 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -137.73 120.8 16.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.68 126.83 65.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.986 HG13 ' H ' ' A' ' 34' ' ' THR . 2.2 p -88.66 -88.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.986 ' H ' HG13 ' A' ' 33' ' ' VAL . 28.8 p -126.53 130.55 50.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.545 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 m -100.91 142.49 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.463 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -132.73 116.01 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.598 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.1 130.67 48.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.8 124.9 17.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.623 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 33.0 p90 -78.07 -11.96 59.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.6 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -77.66 -56.22 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.66 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -60.75 -37.37 81.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.2 m -65.51 -37.94 88.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.676 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -77.64 -42.45 34.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.472 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.03 -24.11 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.631 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -80.4 -34.63 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.451 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.9 -18.81 57.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -78.04 -19.92 53.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.301 . . . . 0.0 110.508 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -89.09 -33.5 17.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.3 p -88.57 -50.17 6.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.94 33.91 6.43 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.691 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.53 155.34 72.18 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -35.64 100.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.612 2.208 . . . . 0.0 112.427 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.8 -24.44 10.08 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.183 1.922 . . . . 0.0 112.012 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -61.72 -55.69 27.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.598 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.93 -46.15 78.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.1 t -43.99 -43.46 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -63.34 -51.06 67.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.77 65.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.524 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 59' ' ' MET . 4.9 tmm? -84.64 -46.88 11.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.57 -25.88 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.548 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.51 -57.27 4.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.379 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.97 -38.01 34.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.482 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -61.73 -59.91 4.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.598 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.61 -23.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 63' ' ' ALA . 1.3 ttm-85 -73.88 -46.31 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.491 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -100.0 -0.72 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.469 -179.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.91 94.94 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.23 -147.14 4.51 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.431 ' CD1' ' OE2' ' B' ' 74' ' ' GLU . 0.0 OUTLIER -131.79 157.97 42.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.727 0.299 . . . . 0.0 110.476 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.556 HG22 HG23 ' A' ' 77' ' ' ILE . 86.7 t -136.57 139.7 44.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.691 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.78 113.1 23.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.408 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 74' ' ' GLU . 5.3 mp -73.26 -48.47 34.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -75.03 27.42 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.6 mt-10 -156.37 -17.05 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 57.44 64.09 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.476 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -139.0 149.32 44.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.556 HG23 HG22 ' A' ' 70' ' ' VAL . 13.2 mt -136.72 85.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.451 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -77.12 127.42 32.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.638 HG23 ' N ' ' A' ' 80' ' ' GLN . 6.8 m -59.37 -144.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.713 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.638 ' N ' HG23 ' A' ' 79' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.614 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.579 0.228 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.81 104.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.462 2.108 . . . . 0.0 112.223 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -172.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.625 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -172.63 147.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -101.67 142.26 33.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.534 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -117.55 128.08 54.61 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.64 112.93 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.4 126.99 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -98.91 123.43 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.475 ' O ' ' NE2' ' B' ' 13' ' ' GLN . 2.5 t -120.84 105.34 16.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.345 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 16' ' ' ALA . 3.6 m -96.49 130.18 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.604 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.494 ' N ' ' OE1' ' B' ' 13' ' ' GLN . 0.8 OUTLIER -129.72 96.5 4.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.606 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 p -154.53 155.57 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.63 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 8.8 p -140.31 111.43 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 164.87 153.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.76 -174.57 42.43 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -177.45 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -138.44 115.4 10.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -103.09 116.06 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.633 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.7 t -70.94 126.42 29.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -132.32 130.63 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -102.75 125.13 49.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.559 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mt -135.85 120.29 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.643 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.86 101.49 13.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -101.97 148.8 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.478 ' C ' ' H ' ' B' ' 29' ' ' GLU . 61.2 p -101.56 -83.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -75.25 26.3 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' B' ' 27' ' ' THR . 18.3 tp10 49.24 39.27 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.61 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.26 -38.55 0.02 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -101.79 136.52 41.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.816 0.341 . . . . 0.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.587 ' O ' HG13 ' B' ' 32' ' ' VAL . 4.6 p -107.39 89.13 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.619 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.644 HG23 ' N ' ' B' ' 34' ' ' THR . 30.4 m -41.94 -49.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.759 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.644 ' N ' HG23 ' B' ' 33' ' ' VAL . 88.4 m -151.08 162.51 40.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.684 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.572 ' N ' HG22 ' B' ' 34' ' ' THR . 0.8 OUTLIER -151.26 129.88 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.343 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -132.79 102.2 5.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.735 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' B' ' 39' ' ' PHE . . . -77.78 128.97 34.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -41.57 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.417 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.52 ' CG ' ' N ' ' B' ' 40' ' ' ASP . 30.0 p90 -58.75 -49.0 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.681 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.52 ' N ' ' CG ' ' B' ' 39' ' ' PHE . 0.0 OUTLIER -43.53 -64.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.543 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.29 -58.09 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -42.79 6.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -73.88 -56.6 4.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.92 -26.62 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -83.69 -37.99 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.63 -31.91 5.4 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.06 -38.08 85.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 110.489 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -75.47 -19.15 59.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 46.4 p -91.55 -50.21 5.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.59 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.99 19.58 46.44 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.41 156.32 70.43 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -35.49 100.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.994 2.462 . . . . 0.0 112.327 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.85 -21.62 2.69 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.014 1.809 . . . . 0.0 112.054 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -67.68 -50.75 56.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.16 -29.89 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.445 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.05 -36.3 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.333 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -67.52 -53.56 27.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.461 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.38 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.537 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.3 tmm? -76.46 -57.23 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.537 ' N ' ' SD ' ' B' ' 59' ' ' MET . 2.6 p -70.16 -6.21 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.672 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -83.32 -60.35 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.287 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.53 -37.85 58.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -64.47 -56.74 12.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.591 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.57 -26.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -45.26 43.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.592 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.409 HG23 ' H ' ' B' ' 66' ' ' VAL . 0.0 OUTLIER -97.5 1.72 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 46.68 96.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.13 -161.31 10.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -127.57 153.04 46.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.557 0.218 . . . . 0.0 110.556 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -128.42 151.67 35.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' B' ' 71' ' ' ASP . 0.0 OUTLIER -120.15 113.22 20.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.149 179.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.5 mp -77.6 -57.58 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.983 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -66.95 7.63 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.821 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.4 mm-40 -142.25 -4.27 1.03 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 110.597 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' B' ' 71' ' ' ASP . 10.8 mmt180 42.35 82.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.669 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -150.93 150.78 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 22.7 mt -137.77 100.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -106.92 140.2 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.597 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.408 ' H ' HG23 ' B' ' 79' ' ' VAL . 0.2 OUTLIER -85.54 175.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.64 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 -179.921 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 N--CA 1.485 1.013 0 CA-C-O 120.807 0.253 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.6 m -63.27 -179.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -139.65 135.56 33.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -103.28 152.71 21.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -135.02 151.06 50.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.647 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.05 125.68 53.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.542 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -103.12 110.84 30.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.608 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' B' ' 70' ' ' VAL . 15.0 ttm180 -64.23 127.49 31.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.83 108.69 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.641 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.64 131.58 53.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.572 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.72 95.41 4.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.258 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 p -154.02 133.51 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.585 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 15' ' ' VAL . 14.9 p -135.99 114.33 15.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.491 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 165.21 -177.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.452 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.98 174.02 16.82 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.55 -177.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.502 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -138.64 132.54 31.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.614 HG13 ' CD ' ' A' ' 41' ' ' GLU . 84.0 t -102.26 153.77 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.556 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -99.83 117.25 33.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.629 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.62 156.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.647 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -137.52 128.29 27.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.572 ' CG2' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -136.25 148.26 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.548 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.597 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -121.01 119.07 31.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -103.5 145.24 30.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 29' ' ' GLU . 41.3 p -104.35 -177.89 3.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.461 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -79.15 26.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.621 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.6 tt0 -132.21 16.68 4.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.7 23.18 43.11 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -104.74 151.92 23.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.609 ' O ' HG13 ' A' ' 32' ' ' VAL . 13.7 p -107.56 118.37 55.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.899 HG13 ' H ' ' A' ' 34' ' ' THR . 2.6 p -68.67 -99.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.428 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.899 ' H ' HG13 ' A' ' 33' ' ' VAL . 29.3 p -119.81 135.04 55.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.769 0.319 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.572 HG12 ' CG2' ' A' ' 24' ' ' ILE . 3.6 m -101.88 124.01 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.634 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -104.22 138.91 40.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.72 148.14 41.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.529 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.63 113.96 13.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.441 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -67.68 -16.47 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -64.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.752 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.614 ' CD ' HG13 ' A' ' 20' ' ' VAL . 1.7 pp20? -56.82 -25.95 57.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 93.1 m -72.87 -44.78 60.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -73.45 -52.59 13.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -44.97 -59.72 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.56 -30.86 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.66 -19.92 7.12 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -85.53 -25.83 26.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.652 0.263 . . . . 0.0 110.499 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.24 -29.63 66.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.3 p -89.91 -50.23 6.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.13 29.23 8.1 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.223 -0.513 . . . . 0.0 111.882 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.61 155.81 71.69 Favored Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -35.16 99.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.721 2.281 . . . . 0.0 112.364 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -50.69 -12.63 0.6 Allowed 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.206 1.937 . . . . 0.0 112.05 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -71.44 -44.94 63.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.717 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -65.69 -47.06 76.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.023 0.44 . . . . 0.0 110.679 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.5 t -46.85 -50.5 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.616 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -53.12 -54.95 28.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -20.61 66.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -72.68 -43.36 63.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.612 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.8 t -63.0 -55.63 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -43.5 -55.52 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.35 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.59 -43.81 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.453 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -63.1 -58.05 8.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -46.17 -24.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.626 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 ttm-85 -72.06 -46.91 55.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.503 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.06 6.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.558 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.16 83.23 0.02 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.41 -164.25 11.31 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.474 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -116.96 167.88 10.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.334 . . . . 0.0 110.62 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -131.29 145.62 35.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.637 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.433 ' OD1' ' CZ2' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -134.76 112.97 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 74' ' ' GLU . 8.2 mp -72.32 -24.6 61.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.15 -9.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.527 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.3 mm-40 -175.08 18.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.625 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 43.65 84.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -139.15 131.38 28.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.359 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.78 132.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.586 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -163.34 153.93 16.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.7 p -54.15 147.2 2.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.608 179.855 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.528 0.116 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.01 110.13 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.516 2.144 . . . . 0.0 112.067 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.66 137.79 48.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.487 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -163.64 147.47 10.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.586 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -79.09 147.27 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.631 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -110.25 167.78 9.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.523 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.71 88.61 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.678 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.8 t -74.25 130.66 35.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.501 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.17 123.17 38.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.69 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.0 t -107.2 130.31 59.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.629 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -134.31 160.94 41.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.82 94.96 1.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.608 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.8 p -154.35 137.43 7.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 11.4 p -129.92 115.93 35.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.667 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 164.86 177.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.69 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.7 160.59 8.58 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.92 178.59 2.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.825 0.345 . . . . 0.0 110.452 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -150.86 131.66 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.556 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.93 151.11 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.433 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.8 t -101.31 113.13 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.655 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.477 HG12 ' N ' ' B' ' 23' ' ' LYS . 89.5 t -103.74 156.52 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.428 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.477 ' N ' HG12 ' B' ' 22' ' ' VAL . 9.8 tttm -124.41 122.14 36.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.493 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.0 mt -130.23 121.46 51.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.616 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.525 ' HB3' ' CG1' ' B' ' 33' ' ' VAL . . . -89.75 130.52 36.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.5 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -133.38 141.07 47.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.9 p -98.07 -177.44 3.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.758 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.42 20.87 1.01 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.366 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -119.13 2.19 11.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.469 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.31 18.79 79.45 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -99.34 135.02 41.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.406 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -107.62 125.91 63.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.952 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -73.02 -97.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.349 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.952 ' H ' HG13 ' B' ' 33' ' ' VAL . 2.0 t -138.33 147.82 43.94 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.656 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 p -94.28 142.16 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.608 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -132.77 94.18 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.331 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.06 125.33 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -47.68 98.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -56.1 -18.34 9.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -64.63 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.487 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -57.32 -38.18 73.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 22.1 m -57.03 -43.76 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.634 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -41.08 92.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -70.44 -26.37 63.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -77.38 -28.71 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.73 -22.43 33.14 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -77.99 -25.35 47.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -85.41 -29.67 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.507 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.423 HG22 ' CD2' ' B' ' 72' ' ' LEU . 59.8 p -90.0 -48.48 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.468 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.4 -26.38 24.4 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.4 156.22 85.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.31 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -38.82 157.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.402 2.068 . . . . 0.0 111.805 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -71.49 -58.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.391 0 C-N-CA 122.333 2.022 . . . . 0.0 112.123 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 -47.71 11.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -48.12 -28.45 2.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.573 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 t -81.45 -42.79 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -46.15 -54.84 7.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.56 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.23 -58.49 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.473 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -44.0 -40.33 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.581 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 34.1 t -73.41 -45.6 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.2 -44.15 97.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.458 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.64 -47.67 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.355 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.471 ' HB1' ' HA2' ' B' ' 68' ' ' GLY . . . -55.35 -63.52 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.58 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.38 -20.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.71 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' B' ' 63' ' ' ALA . 17.0 ttp180 -77.96 -43.36 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.038 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.88 -9.35 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.5 -93.38 0.12 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.471 ' HA2' ' HB1' ' B' ' 63' ' ' ALA . . . 159.11 72.49 0.02 OUTLIER Glycine 0 CA--C 1.528 0.898 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.187 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.402 ' HB3' ' H ' ' B' ' 78' ' ' LYS . 1.3 t-105 -141.93 136.83 30.81 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.16 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' ARG . 12.1 t -137.34 132.92 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -134.86 112.83 10.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.1 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.423 ' CD2' HG22 ' B' ' 49' ' ' THR . 5.7 mp -89.01 -18.17 27.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.685 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 pttm -49.16 -18.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.327 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -165.49 14.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.506 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 57.44 87.18 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -143.98 167.96 21.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.418 HD13 HG21 ' B' ' 77' ' ' ILE . 0.5 OUTLIER -136.0 134.2 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.493 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . 0.402 ' H ' ' HB3' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -139.81 174.85 10.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.878 0.371 . . . . 0.0 111.013 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.61 144.06 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.448 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.51 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo . . . . . 0 N--CA 1.492 1.405 0 CA-C-O 120.848 0.27 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.97 114.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.516 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -168.41 155.94 7.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.47 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -76.82 138.67 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.483 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -110.22 128.84 55.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.468 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.53 116.34 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.687 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t -84.41 140.92 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.478 ' NH2' ' HB2' ' B' ' 16' ' ' ALA . 3.1 mmm180 -87.91 123.25 32.47 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.729 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.98 127.17 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.187 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.691 HG22 ' HE1' ' B' ' 69' ' ' TRP . 1.4 m -129.79 168.41 22.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.446 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -124.13 130.64 52.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.18 118.86 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.584 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.79 143.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.482 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.07 162.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.79 -104.75 0.2 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.19 160.21 24.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.714 0.292 . . . . 0.0 110.599 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -140.15 123.8 17.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.668 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.589 HG13 ' CD ' ' A' ' 41' ' ' GLU . 69.3 t -100.87 147.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.491 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.09 133.12 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t -137.68 130.51 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -104.02 126.41 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.47 138.74 51.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.404 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.59 100.98 12.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.605 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -103.35 134.86 46.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.473 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -90.32 179.87 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.52 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.95 10.5 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -111.46 -14.22 13.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.72 22.69 32.89 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -103.79 155.69 18.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.754 0.312 . . . . 0.0 110.471 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.702 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.2 p -119.7 94.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.683 HG23 ' N ' ' A' ' 34' ' ' THR . 35.5 m -50.79 -57.1 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.792 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.683 ' N ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -151.12 163.49 38.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.809 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -128.44 138.15 55.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -132.8 126.4 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.16 125.81 51.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -44.19 111.13 0.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.538 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.86 ' HD1' ' HD2' ' A' ' 43' ' ' ARG . 39.9 p90 -73.32 -18.49 61.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.513 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -64.26 0.92 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.752 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.589 ' CD ' HG13 ' A' ' 20' ' ' VAL . 3.1 pp20? -58.47 -31.73 68.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.653 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.445 ' SG ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -77.37 -18.98 56.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.604 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.86 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 3.2 mtt180 -81.91 -33.05 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.16 -26.14 33.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 49' ' ' THR . 1.0 OUTLIER -82.98 -21.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.537 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.42 51.08 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -52.09 15.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.805 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.88 -9.14 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 45' ' ' ILE . 26.6 p -101.42 -37.75 8.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -26.64 23.52 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -97.11 154.11 38.26 Favored Pre-proline 0 C--N 1.331 -0.207 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.346 179.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -58.56 164.06 9.81 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.379 2.053 . . . . 0.0 112.012 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.18 -46.76 2.01 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.618 2.212 . . . . 0.0 112.154 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -48.01 -34.89 10.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.569 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.64 -51.27 17.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.59 -38.66 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.709 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -58.0 -44.92 87.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.652 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.53 -24.35 64.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.423 ' C ' ' SD ' ' A' ' 59' ' ' MET . 10.8 tmm? -78.19 -54.31 6.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.619 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.66 -21.75 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.768 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.6 tm-20 -66.51 -62.03 1.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.459 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -54.21 -31.01 51.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -62.45 -63.4 1.24 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.788 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.7 -29.15 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -43.15 75.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -101.59 -1.55 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.776 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.69 94.81 0.01 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.7 -147.39 4.79 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.588 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -124.26 162.82 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 0.0 110.369 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 t -144.77 133.9 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.661 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ARG . 9.3 m-20 -103.83 112.69 25.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.319 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' A' ' 74' ' ' GLU . 1.9 tp -69.18 -29.9 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.354 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 10.81 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.635 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -166.23 1.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.58 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' ASP . 4.1 ttt-85 41.44 55.02 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.522 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -113.83 148.38 36.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.82 115.45 45.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -142.6 142.93 32.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 80' ' ' GLN . 9.7 p -94.53 155.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.641 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.453 ' N ' HG22 ' A' ' 79' ' ' VAL . 55.0 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.441 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.716 0.293 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -51.87 102.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.687 2.258 . . . . 0.0 112.074 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -166.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.672 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.85 125.55 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.483 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -87.74 152.03 22.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.45 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -136.39 140.91 43.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.426 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -109.88 85.27 2.07 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.95 133.75 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.746 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -96.35 124.42 40.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.651 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -122.05 105.16 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.409 ' O ' HG23 ' B' ' 12' ' ' VAL . 3.2 m -94.76 134.14 33.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.739 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.64 95.1 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.207 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -137.62 149.38 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.693 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.446 HG13 ' O ' ' B' ' 15' ' ' VAL . 14.6 p -119.82 129.52 75.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.689 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.478 ' HB2' ' NH2' ' A' ' 10' ' ' ARG . . . 51.71 -176.97 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.621 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.7 -82.32 0.08 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -89.52 166.26 13.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.346 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -149.37 111.8 4.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.62 HG11 HG21 ' B' ' 60' ' ' VAL . 7.1 p -106.84 154.86 7.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.45 ' N ' HG22 ' B' ' 20' ' ' VAL . 0.3 OUTLIER -101.99 140.56 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.685 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.1 t -142.68 118.56 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -83.85 126.47 32.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.457 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.632 HD11 ' HB1' ' B' ' 64' ' ' ALA . 2.0 mt -137.96 129.26 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.545 ' HB3' ' CG1' ' B' ' 33' ' ' VAL . . . -101.66 139.84 36.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -133.57 154.65 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.656 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 44.7 p -128.72 -72.68 0.6 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.573 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.478 ' N ' ' OG1' ' B' ' 27' ' ' THR . 1.9 mt-10 -78.32 20.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 52.17 12.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' B' ' 28' ' ' GLU . . . -137.8 -34.58 0.19 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -101.55 130.3 47.81 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.542 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.434 ' O ' HG13 ' B' ' 32' ' ' VAL . 10.2 p -107.55 129.53 61.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.719 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.928 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -65.73 -94.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.928 ' H ' HG13 ' B' ' 33' ' ' VAL . 4.2 t -135.65 137.63 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.461 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.43 143.43 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.629 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -132.51 102.15 5.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.54 150.5 38.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.656 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -72.55 119.66 17.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.795 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 32.8 p90 -78.15 -13.44 59.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.795 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 53.6 m-20 -77.63 -64.45 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 29.4 mt-10 -56.49 -34.19 66.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 99.1 m -69.59 -38.44 77.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.621 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -69.38 -48.89 59.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.62 -61.44 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.541 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.08 -20.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.618 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.11 -18.74 79.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -86.45 -54.54 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 110.774 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.61 -10.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.687 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 28.9 p -110.05 -44.57 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.62 30.13 5.67 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.74 156.42 71.12 Favored Pre-proline 0 C--N 1.332 -0.189 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.92 161.87 43.91 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.333 2.022 . . . . 0.0 111.942 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.97 -48.31 0.38 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.583 2.189 . . . . 0.0 112.181 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -44.04 -49.68 8.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.718 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -52.02 -35.61 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.457 ' O ' HG12 ' B' ' 60' ' ' VAL . 12.1 t -83.37 -47.39 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -45.89 -43.62 13.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.54 -62.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.994 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.4 tmm? -45.63 -44.0 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.62 HG21 HG11 ' B' ' 20' ' ' VAL . 1.2 p -72.93 -28.38 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.97 -62.08 1.53 Allowed 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.367 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.11 -31.68 8.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.281 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -69.58 -30.87 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.7 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.632 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -71.31 -20.56 62.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . 0.541 HH22 HG21 ' B' ' 24' ' ' ILE . 1.9 mmp_? -81.41 -40.27 23.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -18.58 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 51.88 91.22 0.01 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.78 -123.79 2.0 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.691 ' HE1' HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -153.24 140.52 19.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.61 0.243 . . . . 0.0 110.446 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.628 ' N ' ' CD1' ' B' ' 69' ' ' TRP . 47.9 t -130.53 157.78 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.497 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.5 OUTLIER -112.63 128.48 56.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.963 179.393 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' B' ' 74' ' ' GLU . 6.8 mt -84.08 -50.66 7.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.939 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 16.6 0.46 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.0 mm-40 -148.51 -10.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.554 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 41.18 60.17 2.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.67 139.45 47.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.0 mt -103.43 126.8 57.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -139.12 179.27 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.706 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 45.7 t -127.93 142.89 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.486 1.058 0 CA-C-O 120.796 0.248 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.12 134.82 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.588 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -151.6 147.54 26.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -82.49 136.62 34.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.459 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -110.29 131.09 55.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.458 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.05 105.47 17.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.1 t -84.87 129.02 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -83.0 132.83 35.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.746 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t -124.98 100.45 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.337 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.6 m -99.56 96.2 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.527 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.673 ' OE1' HD22 ' B' ' 72' ' ' LEU . 1.0 OUTLIER -101.09 95.05 6.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 179.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 14' ' ' VAL . 9.0 p -154.53 129.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.664 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 7.4 p -137.21 107.79 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.496 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 163.4 151.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.581 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.48 -164.28 32.23 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.45 -177.2 1.74 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 0.0 110.559 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -138.0 120.05 15.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.532 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.515 HG22 ' OE2' ' A' ' 41' ' ' GLU . 59.3 t -104.03 139.48 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -101.44 109.12 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.22 159.74 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -137.6 115.57 11.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.482 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.4 mt -131.42 139.3 51.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.568 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.14 137.46 41.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.41 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -133.42 147.15 51.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.6 p -105.51 -60.32 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.596 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' C ' ' H ' ' A' ' 30' ' ' GLY . 4.3 tt0 -98.89 15.47 25.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 60.58 2.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -110.96 -45.65 0.87 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -99.89 161.01 13.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.363 . . . . 0.0 110.591 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.705 ' O ' HG13 ' A' ' 32' ' ' VAL . 11.2 p -126.83 105.47 14.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.433 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.713 HG13 ' H ' ' A' ' 34' ' ' THR . 7.5 p -52.82 -59.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.814 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.713 ' H ' HG13 ' A' ' 33' ' ' VAL . 2.7 p -148.13 163.49 36.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.627 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.8 m -129.14 138.26 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.446 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -132.35 163.71 28.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.1 155.69 38.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.28 114.82 11.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.463 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -74.75 -14.3 60.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.36 -64.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.545 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.515 ' OE2' HG22 ' A' ' 20' ' ' VAL . 1.7 pp20? -54.24 -33.43 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.57 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -47.27 76.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -70.45 -41.18 73.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.649 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.04 -42.66 85.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.65 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.7 mt -83.48 -20.01 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -53.39 -18.7 7.48 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -83.55 -32.2 25.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.572 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 10.3 tt0 -71.15 -28.89 64.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -84.79 -49.83 8.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.98 -18.96 51.08 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.58 156.87 56.0 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.398 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -38.43 157.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.426 2.084 . . . . 0.0 111.71 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.79 -59.44 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 122.343 2.029 . . . . 0.0 112.162 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -49.13 -41.94 37.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -48.64 -33.75 10.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.54 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 60' ' ' VAL . 18.3 t -79.33 -36.69 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.618 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -58.27 -54.7 44.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.47 83.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.442 ' SD ' HG21 ' A' ' 70' ' ' VAL . 12.0 tmm? -64.14 -36.97 85.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.697 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 56' ' ' VAL . 41.8 t -67.71 -63.82 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -43.64 -38.68 3.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.364 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.6 -47.28 79.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.689 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -56.69 -51.43 68.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.539 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.92 -30.23 4.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -46.87 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.51 5.72 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.11 75.47 0.12 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.52 -154.07 6.35 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -124.97 176.61 6.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.442 HG21 ' SD ' ' A' ' 59' ' ' MET . 10.0 t -135.32 132.77 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.71 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.27 113.04 25.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.589 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 74' ' ' GLU . 4.2 mp -76.02 -33.99 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.589 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -42.82 -20.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' LEU . 2.9 tp10 -158.19 19.98 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 42.57 89.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -145.84 164.58 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 mt -138.75 123.41 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.651 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.24 157.85 45.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.14 139.84 18.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.538 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.451 HG22 ' O ' ' B' ' 2' ' ' VAL . 1.7 p . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 111.236 0.087 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.0 96.47 0.74 Allowed 'Trans proline' 0 N--CA 1.487 1.092 0 C-N-CA 122.221 1.947 . . . . 0.0 112.198 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.22 147.34 48.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.467 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -137.6 150.65 47.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -100.37 149.07 24.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.3 -179.98 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.506 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.94 87.76 1.57 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.567 HG12 ' N ' ' B' ' 10' ' ' ARG . 73.7 t -83.68 161.72 3.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.567 ' N ' HG12 ' B' ' 9' ' ' VAL . 3.3 tpp180 -128.01 123.36 34.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -105.93 101.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.412 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 16' ' ' ALA . 5.8 m -93.07 139.59 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -145.69 95.12 2.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.592 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -154.41 155.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.617 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 8.5 p -131.48 123.55 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.564 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 165.7 160.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.517 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.7 165.89 26.85 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -94.18 -168.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 110.648 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -145.98 124.25 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.75 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.74 119.4 57.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.7 t -78.38 138.62 38.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.633 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.0 t -133.52 122.11 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.475 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -81.84 104.55 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.647 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.403 HD11 ' HB1' ' B' ' 64' ' ' ALA . 44.1 mt -107.01 148.4 11.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.414 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.86 119.8 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -103.02 152.92 20.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.387 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -133.47 -44.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.691 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -101.17 8.87 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 53.4 60.38 3.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 169.96 -13.18 0.05 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -139.46 154.9 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.686 0.279 . . . . 0.0 110.575 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.507 HG11 ' HG3' ' B' ' 65' ' ' ARG . 2.0 p -107.56 94.77 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.482 ' H ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -43.39 -51.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.187 0.518 . . . . 0.0 110.703 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.09 163.59 38.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.53 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 p -151.22 143.2 16.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.524 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -132.8 99.61 4.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.79 138.49 39.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.637 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.48 118.1 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 1.11 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 33.2 p90 -74.75 -30.46 61.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.622 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 1.11 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 25.7 m-20 -66.84 -64.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -50.83 -31.7 17.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 52.0 m -74.79 -38.21 62.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -79.05 -55.83 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.469 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.92 -52.33 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.449 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.64 ' O ' HG23 ' B' ' 49' ' ' THR . 77.8 mt -74.79 -35.54 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.372 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.51 -22.85 8.42 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -77.55 -54.15 6.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.981 0.419 . . . . 0.0 110.512 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -62.37 -21.72 65.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.64 HG23 ' O ' ' B' ' 45' ' ' ILE . 68.5 p -84.63 -39.07 19.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.612 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.36 33.6 31.41 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 mt -125.4 132.6 24.35 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' B' ' 54' ' ' ARG . 90.2 Cg_exo -37.99 102.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 122.225 1.95 . . . . 0.0 112.207 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -46.73 -10.76 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.165 1.91 . . . . 0.0 112.137 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' B' ' 52' ' ' PRO . 40.3 ttt85 -69.38 -54.9 12.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.227 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -66.54 -39.56 88.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -50.23 -41.97 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -64.09 -45.94 86.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.85 -21.48 64.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.674 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.8 tmm? -76.22 -58.83 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.515 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.583 ' N ' ' SD ' ' B' ' 59' ' ' MET . 2.2 p -66.09 -11.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.602 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -82.03 -56.48 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.349 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.09 -37.56 21.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -63.21 -58.15 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.553 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.403 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -43.53 -24.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.498 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . 0.507 ' HG3' HG11 ' B' ' 32' ' ' VAL . 3.6 ttp180 -75.79 -45.32 36.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -101.54 6.93 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.584 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 48.6 100.52 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.1 176.24 40.11 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.511 ' CD2' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -101.02 173.86 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.87 0.367 . . . . 0.0 110.676 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.553 HG12 ' N ' ' B' ' 71' ' ' ASP . 49.3 t -135.67 162.44 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.57 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.553 ' N ' HG12 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -150.85 112.96 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.673 HD22 ' OE1' ' A' ' 13' ' ' GLN . 5.7 mp -79.46 -20.08 48.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.87 -32.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.386 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.39 30.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.476 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 47.78 83.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.655 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -140.03 159.46 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 10.2 mt -143.72 107.78 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.501 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -84.77 117.74 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.492 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.667 HG12 ' H ' ' B' ' 80' ' ' GLN . 2.4 t -69.92 -139.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.667 ' H ' HG12 ' B' ' 79' ' ' VAL . 12.8 mm-40 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.514 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 N--CA 1.494 1.516 0 CA-C-O 120.831 0.263 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.67 139.57 7.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.591 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -169.54 147.96 3.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.658 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -77.2 136.95 38.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.398 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -110.39 154.43 23.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.291 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.519 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -126.67 87.47 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.534 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.2 t -78.31 110.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.525 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -91.59 123.45 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.646 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -104.16 111.0 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.337 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 12' ' ' VAL . 19.5 m -100.18 113.45 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.644 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.09 98.82 6.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 p -154.67 152.51 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.577 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.662 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -140.61 119.68 11.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.595 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 163.4 154.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.612 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.23 -174.26 44.36 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -168.18 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.617 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -139.37 119.51 13.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.514 HG13 ' CD ' ' A' ' 41' ' ' GLU . 97.1 t -101.65 154.62 4.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.625 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.426 ' N ' HG12 ' A' ' 20' ' ' VAL . 13.3 t -113.92 136.92 52.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 36' ' ' LYS . 67.0 t -138.59 153.56 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' N ' HG12 ' A' ' 22' ' ' VAL . 5.8 ttpt -126.76 103.61 7.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.703 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 24' ' ' ILE . 11.0 mt -101.73 123.27 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.381 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.16 36.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -107.02 150.87 26.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.476 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.484 ' C ' ' H ' ' A' ' 29' ' ' GLU . 4.3 p -114.53 -102.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.494 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.14 19.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.5 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 27' ' ' THR . 14.5 tt0 60.59 44.11 11.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.0 -46.67 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -139.39 155.18 47.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.562 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -107.39 114.72 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.46 -43.66 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.266 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.472 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 92.8 m -151.28 150.14 30.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.707 0.289 . . . . 0.0 110.986 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.18 109.95 27.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.463 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.576 ' O ' HG13 ' A' ' 22' ' ' VAL . 2.1 mptt -82.9 170.36 15.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.751 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.44 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -156.28 20.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 38' ' ' GLU . 0.3 OUTLIER 47.04 96.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.451 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -68.94 -15.5 63.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -75.93 -63.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.514 ' CD ' HG13 ' A' ' 20' ' ' VAL . 1.3 pp20? -56.46 -25.53 51.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.485 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 94.1 m -74.57 -37.74 62.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -74.5 -30.2 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -75.54 -39.73 57.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.621 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -69.33 -30.42 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -49.34 -24.07 4.84 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.61 -28.7 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -81.43 -32.23 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.853 HG22 HD21 ' A' ' 72' ' ' LEU . 20.0 p -85.48 -50.01 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.544 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.89 -26.13 25.78 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -79.9 156.4 74.82 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.335 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -40.06 158.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 122.216 1.944 . . . . 0.0 111.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.57 -51.94 0.15 Allowed 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.277 1.985 . . . . 0.0 112.183 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -38.48 3.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.599 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.31 -52.58 62.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.706 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.8 t -65.22 -48.17 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.717 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -45.92 -54.79 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.727 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.67 -20.13 66.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -59.9 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.487 HG11 HG11 ' A' ' 20' ' ' VAL . 67.0 t -65.93 -15.25 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.799 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -75.0 -63.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.52 -47.02 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -54.51 -59.79 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.62 -23.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.526 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 63' ' ' ALA . 0.8 OUTLIER -75.47 -41.8 54.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.521 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -110.5 11.4 8.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.16 94.1 0.01 OUTLIER Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.16 -167.83 11.74 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 2.1 m95 -109.12 144.84 36.64 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -107.79 142.64 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -132.86 117.49 17.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.075 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.853 HD21 HG22 ' A' ' 49' ' ' THR . 1.8 mp -84.4 -57.81 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.004 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' B' ' 14' ' ' VAL . 14.5 mmtt -66.44 6.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.2 mt-10 -138.48 -10.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 41.65 56.18 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 77' ' ' ILE . 16.3 tp10 -140.58 148.13 40.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.503 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.496 ' H ' ' CD ' ' A' ' 76' ' ' GLU . 4.6 mt -118.36 102.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -68.48 124.41 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 80' ' ' GLN . 11.3 p -75.01 154.73 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.393 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.439 ' N ' HG22 ' A' ' 79' ' ' VAL . 20.6 tt0 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.4 ' O ' HG12 ' B' ' 2' ' ' VAL . 93.8 t . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.588 0.233 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.34 102.25 1.03 Allowed 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.675 2.25 . . . . 0.0 112.205 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.0 m -79.11 167.83 20.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.544 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -141.16 147.08 37.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.457 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -95.04 141.3 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.608 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.0 -179.37 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.501 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.12 111.89 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.485 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t -101.09 150.12 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.531 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -107.89 123.39 48.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 72.3 t -106.19 99.5 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 m -103.45 134.71 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.46 95.08 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.094 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 73' ' ' LYS . 9.3 p -93.4 140.09 17.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -133.14 136.11 55.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.81 169.19 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.68 -140.92 3.73 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -171.49 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.707 0.289 . . . . 0.0 110.574 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -148.65 140.76 23.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 99.2 t -130.19 148.79 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.2 t -103.14 127.3 50.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.479 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.31 146.84 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.651 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -122.35 116.21 23.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.494 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 16.1 tt -136.68 139.83 44.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.378 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.26 152.07 37.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.725 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -104.28 165.23 11.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.318 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.494 ' C ' ' H ' ' B' ' 29' ' ' GLU . 71.7 p -122.92 -74.42 0.62 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.445 ' N ' ' OG1' ' B' ' 27' ' ' THR . 9.2 mt-10 -73.92 21.52 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.662 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' B' ' 27' ' ' THR . 2.5 tt0 49.62 19.2 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.681 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.59 -53.02 0.07 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' B' ' 28' ' ' GLU . 17.3 pt-20 -110.99 133.37 53.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.396 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.82 105.02 18.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.565 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.677 HG22 ' O ' ' B' ' 33' ' ' VAL . 9.7 p -122.15 50.64 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 49.3 p -150.41 90.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.597 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.435 ' O ' HG13 ' B' ' 35' ' ' VAL . 15.0 p -138.32 129.88 37.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.7 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -132.6 92.55 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.708 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.75 153.85 32.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.581 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.38 116.89 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.486 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -72.72 -12.41 61.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.693 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -77.68 -64.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.678 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -52.35 -36.26 53.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 m -63.07 -50.34 70.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -70.42 -52.68 20.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.99 -44.24 4.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.448 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -84.07 -26.27 7.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.83 -27.91 14.76 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.18 -36.55 64.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.843 0.354 . . . . 0.0 110.598 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.02 -11.06 60.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.3 p -96.76 -50.15 4.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.637 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.81 17.55 51.3 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.5 156.19 70.86 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -34.78 99.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.947 2.431 . . . . 0.0 112.398 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -48.07 -16.14 0.54 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.196 1.931 . . . . 0.0 112.089 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -72.62 -50.08 27.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.467 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.45 -21.17 59.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.49 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -77.82 -36.59 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.608 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -61.83 -55.06 33.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.57 -36.66 79.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -55.82 -41.07 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 5.5 t -67.0 -57.92 8.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -43.38 -57.9 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.414 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.0 -44.84 7.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.982 0.42 . . . . 0.0 110.391 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -60.48 -61.91 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.506 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.55 -20.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.673 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.0 OUTLIER -75.54 -47.47 26.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.701 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -108.13 6.55 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.741 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 40.49 93.62 0.01 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.13 -168.97 17.01 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.737 ' O ' HG23 ' B' ' 77' ' ' ILE . 2.5 m95 -108.65 150.1 28.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.705 0.288 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 44.4 t -128.24 134.9 64.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.728 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.92 130.08 56.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.221 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.442 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -93.0 -59.53 2.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -69.92 8.49 0.71 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' B' ' 72' ' ' LEU . 1.9 mt-10 -139.04 -11.56 1.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.588 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 44.61 66.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.413 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 74' ' ' GLU . 0.5 OUTLIER -146.92 150.94 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.638 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.737 HG23 ' O ' ' B' ' 69' ' ' TRP . 14.3 mt -140.23 134.28 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 158.22 39.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.558 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 16.7 t -85.49 149.46 4.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.798 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 4' ' ' SER . 71.6 Cg_endo . . . . . 0 N--CA 1.485 0.99 0 CA-C-O 120.733 0.222 . . . . 0.0 112.134 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -42.69 166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.599 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -143.48 130.73 20.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -99.9 143.63 29.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.768 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.79 125.37 53.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.38 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -91.44 96.28 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.89 143.7 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.459 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -107.12 133.2 52.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 t -129.16 100.83 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.71 HG12 ' O ' ' B' ' 16' ' ' ALA . 14.5 m -101.19 115.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.806 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.71 96.4 5.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.017 0.437 . . . . 0.0 110.276 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -152.3 148.6 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.743 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.568 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -140.14 106.77 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.656 ' O ' HG12 ' B' ' 12' ' ' VAL . . . 169.83 164.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.536 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.704 ' H ' ' NH1' ' B' ' 10' ' ' ARG . . . 162.11 -149.0 16.87 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.519 ' O ' ' NH2' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -88.23 -174.57 4.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.669 0.271 . . . . 0.0 110.571 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -145.72 150.77 36.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.69 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -135.48 147.79 28.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.488 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -101.27 134.83 43.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.577 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 36' ' ' LYS . 21.0 t -142.94 139.59 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -106.62 123.71 48.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.462 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mp -127.69 126.94 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.505 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.67 117.4 33.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' O ' HG23 ' B' ' 2' ' ' VAL . 2.1 tt0 -96.68 164.97 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.52 -62.4 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.57 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.462 ' C ' ' N ' ' A' ' 30' ' ' GLY . 4.5 tp10 -77.31 10.85 2.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 48.11 13.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 28' ' ' GLU . . . -143.12 -18.07 0.25 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -139.35 151.02 46.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 110.554 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.6 p -107.54 116.83 51.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.663 HG13 ' N ' ' A' ' 34' ' ' THR . 7.1 p -49.83 -55.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.713 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.663 ' N ' HG13 ' A' ' 33' ' ' VAL . 28.4 m -151.29 150.5 30.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.769 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.6 m -123.88 125.24 70.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.602 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -101.06 172.9 6.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.27 130.89 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.36 104.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.642 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.939 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 33.9 p90 -59.21 -25.64 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.55 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -71.05 -64.13 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 8.7 mm-40 -44.17 -35.29 2.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.598 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -76.88 -43.98 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.645 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.939 ' NH2' ' CE1' ' A' ' 39' ' ' PHE . 44.7 mtp180 -62.18 -56.73 15.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -53.28 -34.24 56.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.468 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -72.24 -30.86 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.3 -25.68 8.52 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.87 -28.29 58.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.8 0.334 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -80.83 -31.07 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.507 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.591 HG22 ' CD2' ' A' ' 72' ' ' LEU . 50.9 p -86.14 -49.81 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.743 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.77 -18.85 54.35 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.4 156.5 56.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -38.61 157.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.367 2.044 . . . . 0.0 111.851 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -71.51 -55.86 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.287 1.991 . . . . 0.0 112.03 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.76 -52.39 6.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -48.1 -33.27 7.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -81.09 -30.96 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.7 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -67.84 -54.84 15.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.5 73.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.582 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 59' ' ' MET . 9.3 tmm? -67.32 -50.91 58.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.1 t -71.83 -39.08 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.0 tm-20 -61.34 -58.71 7.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.509 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.436 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -44.98 -44.99 10.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.89 -59.4 5.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.575 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.36 -20.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' ALA . 5.3 ttt180 -77.61 -47.45 19.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.808 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.06 3.35 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.76 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 52.65 106.1 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.7 168.9 40.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.49 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -100.91 150.83 22.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.487 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG22 HG12 ' A' ' 77' ' ' ILE . 97.6 t -118.81 150.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.502 ' OD1' ' NZ ' ' B' ' 73' ' ' LYS . 0.9 OUTLIER -126.49 116.95 21.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.202 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.591 ' CD2' HG22 ' A' ' 49' ' ' THR . 3.5 mp -82.7 -56.13 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -69.0 10.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.845 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 72' ' ' LEU . 6.5 mt-10 -143.35 -4.91 0.87 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.531 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 41.95 71.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.455 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -156.06 136.17 12.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.466 HG12 HG22 ' A' ' 70' ' ' VAL . 89.2 mt -126.33 103.1 10.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.391 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -97.67 147.05 24.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.509 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -101.78 -155.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 79' ' ' VAL . 17.2 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.632 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.738 ' O ' HG13 ' B' ' 2' ' ' VAL . 7.8 p . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 111.309 0.114 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -85.07 92.51 0.7 Allowed 'Trans proline' 0 C--N 1.317 -1.092 0 C-N-CA 122.287 1.991 . . . . 0.0 112.134 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.48 147.56 25.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.24 146.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -85.09 146.27 27.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.36 134.74 52.0 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -102.34 89.94 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.404 HG23 ' H ' ' B' ' 9' ' ' VAL . 0.2 OUTLIER -62.3 167.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.444 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.704 ' NH1' ' H ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -136.84 123.2 20.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 t -111.29 106.25 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.673 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 16' ' ' ALA . 4.8 m -104.82 122.18 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.515 ' N ' ' OE1' ' B' ' 13' ' ' GLN . 2.5 mp0 -128.69 94.9 3.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.396 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.43 155.15 6.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.707 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 0.0 OUTLIER -140.39 113.8 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.436 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.71 ' O ' HG12 ' A' ' 12' ' ' VAL . . . 175.83 152.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.613 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.6 167.2 32.27 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . 0.511 ' CZ3' ' OE2' ' B' ' 48' ' ' GLU . 0.0 OUTLIER -65.72 -172.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.707 0.289 . . . . 0.0 110.572 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 54.4 mtm-85 -144.63 122.53 12.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.708 HG13 ' OE1' ' B' ' 41' ' ' GLU . 82.5 t -96.63 152.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.16 128.11 53.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.459 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 t -130.47 140.31 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.495 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -101.06 131.64 46.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.2 124.13 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.543 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -95.56 119.26 33.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -133.49 126.28 30.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.4 p -90.58 -151.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.504 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -96.58 -30.81 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.531 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -42.81 -31.63 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 37.46 4.68 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -139.52 155.08 47.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.799 0.333 . . . . 0.0 110.555 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.42 ' O ' HG13 ' B' ' 32' ' ' VAL . 9.9 p -107.57 130.94 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.558 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.948 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -73.95 -97.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.431 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.948 ' H ' HG13 ' B' ' 33' ' ' VAL . 1.8 t -134.82 144.08 47.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 110.469 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 m -98.49 140.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -132.81 104.62 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.98 169.07 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.729 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -91.52 123.67 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -75.76 -14.36 60.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.651 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -77.17 -51.61 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.737 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.708 ' OE1' HG13 ' B' ' 20' ' ' VAL . 0.8 OUTLIER -67.28 -26.05 66.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.655 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.78 -32.26 61.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -40.62 64.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.72 -29.08 62.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -74.2 -29.15 24.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.469 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.09 -23.74 48.02 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -72.73 -29.33 63.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.605 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . 0.511 ' OE2' ' CZ3' ' B' ' 18' ' ' TRP . 16.1 mt-10 -83.15 -28.26 29.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -85.83 -49.92 7.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.53 15.93 44.84 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.28 157.21 68.34 Favored Pre-proline 0 C--N 1.332 -0.152 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.419 ' O ' HG23 ' B' ' 56' ' ' VAL . 75.4 Cg_exo -38.74 157.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.502 2.134 . . . . 0.0 111.773 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.31 -56.04 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.131 1.887 . . . . 0.0 112.098 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -44.33 -51.03 8.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -49.14 -31.0 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.652 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 52' ' ' PRO . 17.0 t -83.08 -48.98 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.644 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -49.34 -40.67 36.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.08 -50.85 44.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.3 tmm? -58.25 -39.12 78.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.647 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.468 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 78.1 t -79.72 -41.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.34 -51.43 66.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.197 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.18 85.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.352 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -43.94 -63.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.584 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.72 37.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -59.41 -25.93 64.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.765 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -6.22 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.645 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 41.07 90.67 0.01 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -147.11 -117.14 0.98 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.523 ' CZ3' ' OD2' ' B' ' 71' ' ' ASP . 2.9 p-90 -159.26 154.69 25.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.437 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.674 HG22 HG22 ' B' ' 77' ' ' ILE . 46.5 t -135.87 137.69 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.749 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.523 ' OD2' ' CZ3' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -116.31 112.68 21.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.926 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' B' ' 74' ' ' GLU . 1.0 OUTLIER -77.09 -6.87 54.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.479 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . 0.502 ' NZ ' ' OD1' ' A' ' 71' ' ' ASP . 28.7 mtmt -41.98 -24.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 0.0 110.258 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' B' ' 72' ' ' LEU . 2.3 mm-40 -168.81 17.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.345 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 66.95 94.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.579 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -159.79 132.72 6.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.665 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.674 HG22 HG22 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -109.7 129.06 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.442 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -138.17 165.11 27.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.646 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.89 111.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.521 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo . . . . . 0 N--CA 1.492 1.383 0 CA-C-O 120.716 0.215 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -115.15 155.9 26.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -171.7 147.45 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -84.36 147.43 27.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -110.23 178.31 4.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.1 114.43 7.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.528 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -100.9 113.58 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.5 ttp85 -92.82 123.44 36.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -110.3 113.21 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.5 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 16' ' ' ALA . 8.7 m -105.82 162.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.423 ' CD ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -128.5 148.71 50.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.407 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.433 ' H ' ' HB2' ' B' ' 73' ' ' LYS . 63.5 t -80.19 141.76 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.9 t -140.21 143.31 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.672 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.22 169.7 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.52 -138.31 2.65 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -86.96 171.3 10.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 110.682 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.2 mtm-85 -143.47 128.82 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.663 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.5 t -100.83 139.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.61 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.87 108.94 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -106.4 144.0 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.466 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -97.43 135.56 39.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.568 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 mt -145.22 119.55 2.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.69 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -103.08 111.6 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.759 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -105.63 141.62 36.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.5 p -98.56 -157.8 0.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -96.42 -45.04 6.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -41.52 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' GLU . . . 103.15 -2.32 47.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -99.49 155.23 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.692 0.282 . . . . 0.0 110.38 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -107.54 130.67 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.565 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.98 HG13 ' H ' ' A' ' 34' ' ' THR . 2.4 p -59.86 -95.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.98 ' H ' HG13 ' A' ' 33' ' ' VAL . 32.6 m -137.76 148.73 45.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.907 0.384 . . . . 0.0 110.578 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 m -100.14 145.01 11.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.529 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -132.67 118.06 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.524 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.5 142.65 27.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.638 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.62 118.21 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.526 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.864 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 32.6 p90 -76.01 -30.9 58.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.529 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.864 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 39.9 m-20 -51.99 -64.72 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.4 -49.32 77.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.703 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -38.91 63.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.48 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.673 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 7.0 mtt180 -67.7 -47.69 68.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.485 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -67.72 -28.73 67.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -74.4 -33.03 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.82 -29.72 4.5 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -69.75 -37.6 76.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 0.0 110.558 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.51 -31.38 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.427 HG22 HD21 ' A' ' 72' ' ' LEU . 81.5 p -84.87 -49.35 8.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.549 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.64 -12.13 56.51 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.89 156.62 34.93 Favored Pre-proline 0 C--N 1.33 -0.245 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.379 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -38.69 157.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.415 2.077 . . . . 0.0 111.757 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.9 -50.39 0.35 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.317 2.011 . . . . 0.0 112.053 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.8 -54.23 5.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -44.84 -34.49 2.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.0 t -83.08 -47.6 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -47.19 -46.68 24.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.577 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.37 -65.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.807 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 59' ' ' MET . 7.8 tmm? -42.95 -43.28 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.43 -33.87 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -69.26 -57.89 4.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.583 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.06 -42.75 6.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.431 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -53.14 -62.7 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.21 -20.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.671 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 63' ' ' ALA . 12.3 ttt180 -80.74 -31.4 36.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.726 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -113.39 -1.92 10.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.907 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 154.61 -97.09 0.17 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.462 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 149.33 76.58 0.02 OUTLIER Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.746 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.406 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 12.2 t-105 -161.65 135.89 6.89 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -147.13 162.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -143.01 112.78 6.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.779 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.427 HD21 HG22 ' A' ' 49' ' ' THR . 10.4 mp -80.63 -26.35 37.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -58.19 -20.66 43.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.237 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -142.35 5.6 1.65 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.2 ttt85 48.68 87.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.366 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -157.37 135.24 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.59 133.47 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.423 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -138.37 175.39 9.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.018 0.437 . . . . 0.0 110.729 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.69 144.01 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.239 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.427 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.626 0.25 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.14 111.18 1.86 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.828 2.352 . . . . 0.0 112.229 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -169.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.588 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -170.57 138.21 1.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.337 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -87.09 137.06 32.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.11 132.08 54.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.641 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.64 94.39 6.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 94.4 t -77.91 111.6 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -73.98 136.73 43.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -135.98 86.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.37 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -85.16 140.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.773 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.53 94.63 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -151.8 133.0 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.077 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 t -119.79 104.35 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.42 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -166.25 173.5 10.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.34 169.77 22.25 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -94.0 -172.34 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.559 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -145.64 115.22 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.37 128.07 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -78.38 139.91 38.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.46 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 74.0 t -142.76 137.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.599 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -100.75 125.14 47.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 110.352 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.776 HD11 ' HB1' ' B' ' 64' ' ' ALA . 6.3 mt -134.29 123.15 42.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.606 ' HB3' HG11 ' B' ' 33' ' ' VAL . . . -99.39 140.57 33.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -133.44 142.68 48.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 10.8 p -106.19 -66.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.515 ' N ' ' OG1' ' B' ' 27' ' ' THR . 0.6 OUTLIER -96.68 3.98 52.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 68.96 -8.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -96.99 -15.21 39.93 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.51 160.93 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.163 -0.215 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.447 ' O ' HG13 ' B' ' 32' ' ' VAL . 10.5 p -122.44 128.57 75.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.547 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.935 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -64.21 -97.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.366 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.935 ' H ' HG13 ' B' ' 33' ' ' VAL . 54.6 m -137.02 124.03 21.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.736 0.303 . . . . 0.0 110.454 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 m -87.52 146.98 5.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -132.8 88.67 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.523 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.76 147.51 47.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.548 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.427 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 2.5 tp10 -69.09 113.21 6.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.443 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 45.6 p90 -74.62 -6.66 49.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.443 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 25.6 m-20 -77.61 -64.78 1.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 10.2 mt-10 -58.87 -38.15 78.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 74.7 m -57.39 -44.64 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.618 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -56.62 8.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.665 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -55.36 -24.06 27.49 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.648 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -76.14 -28.98 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.468 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.48 -18.8 70.17 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.1 -20.26 45.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.676 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -70.81 -53.09 16.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.744 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.459 ' OG1' HD13 ' B' ' 72' ' ' LEU . 1.3 m -88.93 -34.89 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.91 33.53 10.94 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.415 HD11 ' CD2' ' B' ' 72' ' ' LEU . 6.2 pt -111.15 148.55 38.93 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' B' ' 54' ' ' ARG . 74.4 Cg_exo -33.49 98.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.242 0 C-N-CA 122.886 2.391 . . . . 0.0 112.488 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -49.15 -7.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.191 1.927 . . . . 0.0 112.337 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' B' ' 52' ' ' PRO . 29.3 ttp85 -74.01 -56.75 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.501 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -55.3 -19.21 7.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.579 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 14.3 t -74.01 -54.75 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -46.5 -39.81 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.555 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.24 -61.13 2.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.543 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.479 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.0 tmm? -46.67 -51.81 15.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.423 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.479 ' N ' ' SD ' ' B' ' 59' ' ' MET . 24.7 t -58.14 -40.63 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -67.07 -53.68 28.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.493 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.93 -28.02 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.388 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -66.03 -63.19 1.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.321 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.776 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -44.21 -23.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' B' ' 63' ' ' ALA . 6.3 ttt180 -73.29 -44.11 59.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.526 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -102.97 -0.74 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.541 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 42.28 95.91 0.01 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.76 -162.95 20.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -105.95 165.44 11.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -147.53 132.93 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.575 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 71' ' ' ASP . 0.3 OUTLIER -91.7 127.27 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.38 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.459 HD13 ' OG1' ' B' ' 49' ' ' THR . 2.7 mt -75.28 -52.46 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.647 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . 0.433 ' HB2' ' H ' ' A' ' 14' ' ' VAL . 6.9 mmtp -81.74 27.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.723 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.413 ' H ' ' H ' ' B' ' 75' ' ' ARG . 2.8 mt-10 -159.32 -0.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.508 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.413 ' H ' ' H ' ' B' ' 74' ' ' GLU . 7.6 ptp85 33.97 47.0 0.16 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.45 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -101.38 171.0 7.85 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.349 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 3.0 mt -141.59 116.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.623 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . 0.418 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 7.6 mmtp -105.63 154.16 20.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.322 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' B' ' 80' ' ' GLN . 1.6 p -106.95 147.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.589 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' B' ' 79' ' ' VAL . 19.9 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 N--CA 1.493 1.485 0 CA-C-O 120.63 0.179 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.18 118.51 11.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.409 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.28 151.0 37.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -79.0 146.59 33.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.619 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.26 -178.85 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.386 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.82 117.81 6.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.635 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.477 HG21 HG22 ' B' ' 60' ' ' VAL . 26.0 t -101.55 123.09 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.476 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -86.22 123.65 31.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.765 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.78 104.42 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.222 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.738 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.7 m -104.3 96.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.059 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -103.64 94.2 5.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.029 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 p -155.08 144.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.07 107.24 12.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.471 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.666 ' O ' HG12 ' B' ' 12' ' ' VAL . . . -175.98 168.72 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.712 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.11 166.78 17.23 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 139.58 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.73 ' CD ' ' H ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -97.16 147.83 23.68 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.98 -179.631 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 21' ' ' SER . 55.4 t -110.25 157.39 10.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.223 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 20' ' ' VAL . 12.3 t -100.25 128.29 46.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.788 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -135.74 152.94 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.305 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -135.52 98.29 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.387 . . . . 0.0 110.643 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mt -103.69 154.3 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.457 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.15 106.27 7.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.97 145.1 25.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.52 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -104.77 -67.78 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.61 15.61 17.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.668 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 55.71 27.56 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.5 -17.03 0.52 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -139.22 146.85 40.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.685 0.279 . . . . 0.0 110.474 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.725 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.7 p -107.57 89.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.498 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.559 HG23 ' N ' ' A' ' 34' ' ' THR . 27.5 m -40.95 -45.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.559 ' N ' HG23 ' A' ' 33' ' ' VAL . 28.4 p -148.55 155.95 41.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 35' ' ' VAL . 7.8 p -144.7 103.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.402 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -100.47 160.03 14.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.02 146.04 27.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.439 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.84 93.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.638 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 45.1 p90 -62.1 -14.16 33.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.638 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 79.2 m-20 -77.61 -64.59 1.11 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 41' ' ' GLU . 83.8 mt-10 -48.98 -24.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.408 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.1 m -74.66 -40.12 61.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.455 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -69.06 -56.7 6.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.718 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -55.48 -25.69 38.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.629 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mm -80.57 -40.19 19.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.3 -18.89 0.97 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.98 -60.22 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.344 . . . . 0.0 110.654 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.31 -12.92 1.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.9 p -102.54 -42.49 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.628 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.27 -22.78 36.58 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.03 155.92 57.89 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -64.25 162.82 28.52 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.184 1.923 . . . . 0.0 112.064 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' VAL . 48.1 Cg_endo -70.54 -43.75 1.86 Allowed 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.713 2.276 . . . . 0.0 112.143 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -44.11 -43.38 6.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -26.59 66.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' PRO . 58.7 t -82.67 -52.23 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -46.46 -54.74 8.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.98 64.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' ' 59' ' ' MET . 7.8 tmm? -54.52 -34.94 62.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.705 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 61' ' ' GLU . 5.6 t -74.61 -64.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.85 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' N ' HG12 ' A' ' 60' ' ' VAL . 15.0 mt-10 -43.41 -48.7 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.489 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.86 -52.48 41.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 0.0 110.456 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.9 -53.49 56.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.382 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.6 -27.71 0.32 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.356 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -45.48 50.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.364 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -96.81 6.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.444 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.39 94.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.62 -179.08 36.99 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.537 ' HE1' ' CB ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -101.03 169.17 9.13 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.523 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.439 HG11 ' SD ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -131.25 144.47 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.872 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 75' ' ' ARG . 35.2 m-20 -118.0 113.09 21.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.317 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 74' ' ' GLU . 6.7 mp -71.44 -61.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.805 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' B' ' 14' ' ' VAL . 11.8 mmtm -71.62 40.09 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.57 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -172.6 -19.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.6 tpt180 47.1 70.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.546 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -138.95 134.4 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.684 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -111.36 123.76 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.537 ' CB ' ' HE1' ' A' ' 69' ' ' TRP . 17.3 mmtm -139.27 135.09 33.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -46.95 174.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.58 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.512 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.733 0.302 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -51.67 116.04 2.49 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.609 2.206 . . . . 0.0 112.018 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.2 t -140.4 138.36 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -155.4 150.15 26.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.433 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -77.27 141.73 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -112.99 128.87 56.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.507 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.52 121.4 42.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.539 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.8 t -106.94 111.89 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -83.29 130.23 35.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -111.44 107.45 22.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.516 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 16' ' ' ALA . 4.5 m -102.64 156.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.793 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.33 116.62 10.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.323 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.646 ' CG1' HG11 ' A' ' 12' ' ' VAL . 48.3 t -80.77 133.2 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.516 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' B' ' 16' ' ' ALA . 1.9 p -140.26 130.05 28.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' B' ' 15' ' ' VAL . . . 46.35 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.614 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.07 178.16 33.82 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.08 176.54 5.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.743 0.306 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 23.6 mtm105 -145.78 125.09 13.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 0.0 110.693 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.745 HG22 ' OE1' ' B' ' 41' ' ' GLU . 99.9 t -102.76 139.44 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.91 132.35 35.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.523 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 16.8 t -138.26 136.02 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.42 133.46 52.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.686 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.603 HD11 ' HB1' ' B' ' 64' ' ' ALA . 1.2 mt -140.56 126.98 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.576 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.656 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -104.72 121.97 44.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.576 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -107.29 151.42 25.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.558 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -106.07 -99.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.45 24.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 54.79 42.66 31.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.5 -22.61 0.09 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -139.28 150.17 45.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.595 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.2 p -107.55 125.97 63.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.96 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -59.44 -93.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.96 ' H ' HG13 ' B' ' 33' ' ' VAL . 1.6 m -136.71 115.93 12.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.764 0.316 . . . . 0.0 110.542 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -87.66 131.5 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.652 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -132.65 102.99 5.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.44 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.97 154.31 33.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.451 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.0 103.09 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -66.96 -10.64 51.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.45 -64.28 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.745 ' OE1' HG22 ' B' ' 20' ' ' VAL . 0.6 OUTLIER -57.11 -23.74 49.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.71 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 91.3 m -78.13 -37.3 46.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.531 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -52.4 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.454 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.2 -42.1 94.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.49 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -66.07 -25.76 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.499 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.58 -19.4 54.15 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -83.0 -52.98 6.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.749 0.309 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.82 -29.5 66.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.741 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 65.8 p -85.8 -42.81 13.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.7 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.51 -21.52 40.67 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.56 155.83 53.6 Favored Pre-proline 0 C--N 1.33 -0.248 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.44 163.08 21.8 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.175 1.916 . . . . 0.0 112.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' B' ' 56' ' ' VAL . 39.8 Cg_endo -68.99 -45.35 2.06 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.592 2.194 . . . . 0.0 112.218 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -43.92 -32.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.794 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -78.26 -36.26 47.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.639 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' B' ' 53' ' ' PRO . 19.2 t -73.22 -23.21 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -75.79 -54.66 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.45 -25.7 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.521 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 6.1 tmm? -76.57 -52.59 9.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.632 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.521 ' N ' ' SD ' ' B' ' 59' ' ' MET . 3.7 p -72.06 -17.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -74.28 -64.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.514 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.99 -48.34 16.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.452 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.54 ' HB1' ' HA2' ' B' ' 68' ' ' GLY . . . -46.27 -63.05 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.613 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -48.13 -20.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.641 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -82.76 -28.16 30.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -118.02 4.39 7.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 146.72 -101.16 0.23 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.54 ' HA2' ' HB1' ' B' ' 63' ' ' ALA . . . 153.05 74.44 0.01 OUTLIER Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.1 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.443 ' CD1' ' C ' ' B' ' 69' ' ' TRP . 7.9 t-105 -151.68 136.48 17.17 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -150.13 151.06 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.134 0.492 . . . . 0.0 111.299 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.439 ' OD2' ' NE1' ' B' ' 69' ' ' TRP . 2.2 m-20 -138.28 112.54 8.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.822 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.34 -20.84 56.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.669 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -6.25 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.663 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.15 16.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.474 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.4 HH21 ' CG ' ' B' ' 75' ' ' ARG . 5.3 mtt-85 41.24 87.89 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.758 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -144.1 125.17 14.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.602 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.28 97.61 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.673 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . 0.469 ' NZ ' ' OE2' ' A' ' 74' ' ' GLU . 6.8 tttt -102.18 171.75 7.31 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.135 0.493 . . . . 0.0 110.728 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.405 HG12 ' H ' ' B' ' 79' ' ' VAL . 0.2 OUTLIER -93.45 143.97 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.315 179.565 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.673 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.486 1.087 0 CA-C-O 120.814 0.256 . . . . 0.0 112.285 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -99.61 150.1 22.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.6 mtp85 -137.35 126.85 25.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -79.49 137.99 37.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.621 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 22.0 tt0 -110.24 163.38 13.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.53 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -131.97 87.2 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.617 HG12 ' N ' ' A' ' 10' ' ' ARG . 67.5 t -70.67 165.1 2.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.617 ' N ' HG12 ' A' ' 9' ' ' VAL . 48.9 ttp180 -131.16 123.32 28.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.435 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -110.49 114.11 46.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -109.23 149.41 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.9 98.25 3.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 110.49 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.447 HG22 ' H ' ' A' ' 14' ' ' VAL . 9.2 m -83.18 149.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.522 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 m -140.33 142.59 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 50.76 -167.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.506 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.08 -174.14 36.81 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -84.21 169.94 14.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.618 0.247 . . . . 0.0 110.656 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -140.13 121.59 15.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t -105.01 133.57 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.69 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.58 140.73 38.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.639 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.34 162.55 27.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.584 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -132.03 97.36 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.59 137.56 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.574 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . . . -103.94 104.6 14.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.466 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -100.73 135.01 42.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p -99.4 -164.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -102.57 19.88 18.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -110.02 -25.43 10.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.743 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.27 38.11 3.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.09 150.63 49.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.71 ' O ' HG13 ' A' ' 32' ' ' VAL . 8.5 p -107.43 95.24 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.953 HG13 ' H ' ' A' ' 34' ' ' THR . 2.5 p -47.55 -98.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.364 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.953 ' H ' HG13 ' A' ' 33' ' ' VAL . 1.1 m -125.1 163.42 22.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.46 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -135.99 130.26 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.634 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -104.3 98.59 8.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.793 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.61 169.37 13.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.403 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -101.92 114.19 28.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.662 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 1.093 ' HD1' ' HD2' ' A' ' 43' ' ' ARG . 33.7 p90 -66.71 -26.73 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.48 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.64 -63.74 1.0 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.97 -44.74 91.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.667 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.8 m -62.04 -29.33 70.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 1.093 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 76.2 mtt180 -74.98 -46.2 36.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.548 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.07 -30.01 67.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -80.35 -20.2 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.473 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.32 -18.72 79.91 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -82.88 -55.94 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.425 . . . . 0.0 110.664 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -60.08 -10.36 4.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.616 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.0 p -101.98 -36.01 8.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.88 -24.2 32.87 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -87.79 156.18 52.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -66.75 162.36 37.76 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.385 2.057 . . . . 0.0 112.131 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.72 -20.2 35.31 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.639 2.226 . . . . 0.0 112.058 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -58.84 -54.61 45.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.759 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.13 -25.74 67.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.802 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.57 -41.09 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.54 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -63.64 -54.95 27.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.32 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.529 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.6 tmm? -76.93 -40.51 46.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.595 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.519 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 6.2 t -64.82 -64.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' N ' HG12 ' A' ' 60' ' ' VAL . 51.6 mt-10 -43.29 -56.01 3.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.93 -37.19 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.482 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 60' ' ' VAL . . . -60.51 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.463 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.82 -20.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' ALA . 17.9 ttp180 -76.04 -46.73 27.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.434 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.77 2.1 10.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.518 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.37 95.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.79 -173.74 36.12 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.522 ' CE2' ' OE1' ' B' ' 74' ' ' GLU . 10.0 p90 -101.91 165.87 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.577 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -138.84 134.5 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.744 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -105.47 113.05 26.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 74' ' ' GLU . 1.5 mp -62.98 -55.81 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -71.42 40.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.1 tm-20 -174.68 -12.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.461 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ASP . 16.4 ttm-85 41.88 66.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -139.18 126.14 21.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.612 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.39 102.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.497 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 79' ' ' VAL . 30.8 mmtt -104.76 117.65 34.6 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 80' ' ' GLN . 1.0 OUTLIER -49.32 -179.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.7 tt0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.586 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.732 ' O ' HG13 ' B' ' 2' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.466 0.332 0 N-CA-C 111.398 0.148 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -84.42 102.09 0.86 Allowed 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.344 2.029 . . . . 0.0 112.196 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.49 148.7 35.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.592 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -140.29 154.7 46.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -95.54 152.5 18.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 0.0 110.433 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' B' ' 8' ' ' ASP . 42.9 tt0 -137.38 158.8 43.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.609 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.413 ' N ' ' CG ' ' B' ' 7' ' ' GLU . 1.1 m-20 -124.24 108.9 12.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.486 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -90.4 135.92 25.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -94.14 133.59 37.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.617 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 t -126.39 98.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.489 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -103.5 168.89 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.634 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.51 126.88 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.534 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.35 123.43 37.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 135.56 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.43 -177.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.23 177.36 36.11 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -94.17 168.96 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.673 0.273 . . . . 0.0 110.555 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 152.46 41.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.9 t -135.8 135.56 50.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.85 135.0 33.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.62 124.72 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -100.21 133.82 44.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.584 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 pt -139.65 129.68 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.99 111.27 23.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -98.17 135.02 40.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 72.4 p -101.23 -64.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.79 20.64 2.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 53.92 61.52 3.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.34 -57.67 0.08 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -103.11 149.17 24.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.614 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.66 ' O ' HG13 ' B' ' 32' ' ' VAL . 8.8 p -107.57 109.6 28.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.649 HG13 ' N ' ' B' ' 34' ' ' THR . 8.8 p -42.46 -50.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.649 ' N ' HG13 ' B' ' 33' ' ' VAL . 6.7 m -151.2 150.3 30.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 31.8 t -104.61 141.41 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.478 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -132.8 81.84 1.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.54 160.53 28.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.417 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 1.7 mt-10 -80.59 117.21 21.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -72.09 -11.66 60.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.3 -64.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.965 0.412 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -45.92 91.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.494 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 60.0 m -52.57 -28.96 23.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.681 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -55.02 6.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.504 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' B' ' 47' ' ' GLU . 8.7 mm-40 -61.36 -50.73 71.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -47.21 -29.97 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.413 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.8 -28.53 68.79 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' B' ' 44' ' ' GLU . 16.5 tt0 -77.71 -42.31 34.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.626 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -67.27 -35.55 79.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 41.5 p -87.12 -44.4 11.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.509 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.52 28.14 7.69 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 39.4 mt -125.45 132.68 24.38 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -39.58 157.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.677 1.585 . . . . 0.0 111.745 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.76 -45.27 1.09 Allowed 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.283 1.988 . . . . 0.0 112.189 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -46.5 -49.83 17.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.07 -59.03 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 t -56.64 -58.86 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -46.59 -34.92 5.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.568 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.72 -33.63 64.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.733 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -74.64 -47.54 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.617 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 12.9 t -51.58 -65.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -43.47 -51.98 6.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.339 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.11 -31.01 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.382 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -66.0 -61.69 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.521 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.74 -23.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.512 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' B' ' 63' ' ' ALA . 0.0 OUTLIER -75.57 -43.71 47.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.499 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -102.1 0.31 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.638 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 41.34 94.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.88 -172.25 40.49 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.49 160.18 14.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.731 0.301 . . . . 0.0 110.549 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.733 HG21 ' SD ' ' B' ' 59' ' ' MET . 29.4 t -125.1 151.11 30.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.415 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 2.7 m-20 -121.81 115.82 23.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.449 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -74.37 -58.01 3.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.651 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 47.8 mmtt -75.04 31.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.475 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.522 ' OE1' ' CE2' ' A' ' 69' ' ' TRP . 1.8 tm-20 -162.25 -12.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.567 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 42.06 70.66 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.644 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -137.84 157.62 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.583 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 9.9 mt -138.29 118.54 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.444 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 141.13 48.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.488 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.3 175.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.545 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.528 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo . . . . . 0 N--CA 1.489 1.228 0 CA-C-O 120.802 0.251 . . . . 0.0 112.198 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.19 166.46 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.715 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.84 138.15 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.483 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -80.56 144.88 32.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.806 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -136.17 145.21 45.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -110.47 123.93 50.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.636 HG12 ' N ' ' A' ' 10' ' ' ARG . 60.9 t -104.04 166.61 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.479 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.636 ' N ' HG12 ' A' ' 9' ' ' VAL . 4.1 ttm180 -137.25 124.8 22.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.609 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -112.17 115.3 49.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.33 96.24 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.667 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -110.62 97.14 6.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.559 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.41 ' H ' ' HB3' ' B' ' 73' ' ' LYS . 55.5 t -138.37 134.19 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.636 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.627 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 1.6 m -139.77 106.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.526 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 165.16 155.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.89 177.0 32.59 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -90.37 -177.86 5.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 110.54 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.63 131.61 33.92 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.6 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.513 HG13 ' CD ' ' A' ' 41' ' ' GLU . 60.8 t -99.58 158.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.474 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.506 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -110.04 110.09 20.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.608 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.7 t -117.73 145.94 22.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.557 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -117.4 126.93 53.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.495 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.418 HD11 ' HB1' ' A' ' 64' ' ' ALA . 2.4 mt -131.56 126.24 57.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.62 109.51 21.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.622 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.67 147.29 26.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.4 p -93.56 -165.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.566 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 28' ' ' GLU . 3.5 mp0 -82.33 -22.71 35.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.53 -15.4 57.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.537 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.47 24.11 24.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -104.4 157.25 17.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 32' ' ' VAL . 6.8 p -107.36 89.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.437 ' H ' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -43.26 -58.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.663 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 m -151.22 143.38 24.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.475 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -114.5 136.21 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.41 150.29 50.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.463 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.0 141.73 46.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.478 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 116.13 2.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.665 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CZ ' ' OD2' ' A' ' 40' ' ' ASP . 34.0 p90 -72.72 -26.59 61.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.59 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.602 ' OD2' ' CZ ' ' A' ' 39' ' ' PHE . 1.5 m-20 -67.7 -64.5 0.85 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.756 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.513 ' CD ' HG13 ' A' ' 20' ' ' VAL . 1.8 pp20? -53.51 -28.26 30.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.61 -36.41 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.636 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.426 ' O ' ' OE2' ' A' ' 47' ' ' GLU . 1.2 mtp85 -72.27 -48.11 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.502 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.97 -42.42 99.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.26 -29.05 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.378 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -65.23 -29.94 76.56 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' A' ' 43' ' ' ARG . 2.3 mp0 -72.72 -37.64 67.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.699 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -76.52 -32.83 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -89.47 -49.65 6.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.607 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . 100.78 31.9 5.56 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.2 mt -125.51 132.59 24.35 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.469 ' O ' HG23 ' A' ' 56' ' ' VAL . 87.6 Cg_exo -39.2 157.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.85 1.7 . . . . 0.0 111.822 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.23 -48.41 0.63 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.145 1.897 . . . . 0.0 112.129 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -51.74 -47.31 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.539 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.69 -41.36 99.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.656 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 52' ' ' PRO . 79.4 t -70.87 -25.08 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.405 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -77.21 -31.45 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.616 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.78 -22.07 34.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.598 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 59' ' ' MET . 8.5 tmm? -77.84 -48.49 16.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.43 HG23 HG11 ' B' ' 9' ' ' VAL . 5.6 p -74.97 -28.88 21.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.438 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.9 tm-20 -62.21 -64.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.438 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -48.7 -43.49 37.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.361 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -54.32 -46.25 72.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.692 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.418 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -60.89 -20.13 61.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.563 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.84 -37.83 34.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.833 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.79 -9.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 159.36 -96.28 0.15 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.455 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 147.87 76.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.918 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.531 ' CZ2' ' OD1' ' A' ' 71' ' ' ASP . 83.6 t90 -152.88 135.51 15.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.436 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 79.4 t -155.65 149.17 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.092 0.472 . . . . 0.0 111.4 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.531 ' OD1' ' CZ2' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -145.41 111.75 5.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.551 178.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' GLU . 8.7 mp -66.45 -7.57 20.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.181 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -27.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.329 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -173.67 33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.315 179.737 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 57.24 85.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.55 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -135.53 146.53 48.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.6 mt -136.87 120.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -142.03 -171.91 3.46 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -104.54 143.73 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.46 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.65 ' O ' HG13 ' B' ' 2' ' ' VAL . 7.2 p . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 120.637 0.256 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -51.62 139.81 47.0 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.573 2.182 . . . . 0.0 111.996 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.19 138.57 38.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.526 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -143.28 142.52 31.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -93.76 153.84 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.646 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -130.21 136.24 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.452 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.15 120.8 39.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.517 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.43 HG11 HG23 ' A' ' 60' ' ' VAL . 60.7 t -101.66 120.03 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.704 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -84.51 128.23 34.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.377 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -127.07 126.75 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.674 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.37 176.69 8.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -168.41 93.45 0.34 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.992 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.632 ' O ' HG13 ' B' ' 14' ' ' VAL . 12.0 p -155.27 115.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 t -91.42 119.22 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.685 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -178.78 173.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.53 157.98 9.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 29.8 m95 -91.53 -176.27 4.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.29 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -145.48 144.91 30.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 t -139.34 144.24 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.492 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.86 149.33 23.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.427 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.83 140.27 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.626 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -115.68 97.47 6.15 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.492 HG22 ' HB ' ' B' ' 35' ' ' VAL . 2.1 pp -106.63 128.35 61.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.744 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.555 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -100.84 138.34 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.623 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -132.86 140.75 48.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.73 -161.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.412 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -100.92 22.14 12.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.671 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -110.83 -21.42 12.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.798 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.02 6.38 45.75 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.63 160.8 14.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.51 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 88.3 t -107.54 111.99 38.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.562 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.914 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -56.78 -97.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.914 ' H ' HG13 ' B' ' 33' ' ' VAL . 5.0 m -143.76 118.05 9.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.811 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.492 ' HB ' HG22 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -95.19 143.75 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -132.69 94.55 3.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.514 ' HB3' ' HG3' ' B' ' 57' ' ' LYS . . . -64.77 142.0 58.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.649 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.64 119.58 2.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.456 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.801 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 39.7 p90 -72.56 -20.11 61.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.801 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 53.3 m-20 -71.57 -64.56 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.458 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -54.63 -44.45 73.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 23.3 m -61.26 -38.89 88.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' B' ' 39' ' ' PHE . 13.3 mmt85 -68.44 -50.85 49.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.66 -31.96 72.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.504 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' B' ' 48' ' ' GLU . 1.3 mm -76.24 -33.57 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.81 -24.45 1.89 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -76.67 -34.57 58.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 110.561 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 45' ' ' ILE . 7.1 mm-40 -72.61 -26.43 61.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -88.54 -49.05 7.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.685 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.4 -12.66 56.95 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -99.74 156.48 35.3 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -38.51 157.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.44 2.093 . . . . 0.0 111.85 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -71.21 -53.0 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.348 2.032 . . . . 0.0 112.098 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -43.95 -44.75 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -48.81 -57.89 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 59' ' ' MET . 51.1 t -60.25 -48.68 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.646 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.514 ' HG3' ' HB3' ' B' ' 37' ' ' ALA . 23.6 tttp -46.12 -42.22 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.724 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.88 -23.97 58.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.636 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.641 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -77.04 -63.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.13 -28.14 10.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -68.73 -49.19 60.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.477 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.76 -31.46 38.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -62.56 -61.76 2.21 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.449 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.84 -27.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -68.22 -44.28 76.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.596 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.54 -1.44 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.789 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 50.21 98.2 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.22 -148.35 6.5 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -134.43 171.23 14.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.745 0.307 . . . . 0.0 110.692 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.641 HG21 ' SD ' ' B' ' 59' ' ' MET . 42.1 t -132.2 155.35 41.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.729 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.52 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.0 OUTLIER -136.6 112.78 9.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.423 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -80.68 -20.36 43.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 14' ' ' VAL . 19.2 pttt -48.74 -30.77 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.617 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -156.47 30.97 0.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 42.88 87.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -138.43 153.54 48.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 9.1 mt -140.39 131.9 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.648 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -141.47 169.08 18.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.45 -162.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.572 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.484 0.959 0 CA-C-O 120.792 0.247 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -91.74 151.16 20.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.386 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -162.11 148.39 13.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -77.52 146.32 36.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.629 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -110.57 138.6 46.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.507 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.83 99.5 8.63 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.607 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.5 t -79.44 112.2 17.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.614 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.611 HH11 HG11 ' A' ' 12' ' ' VAL . 2.2 ttp-105 -76.82 123.52 26.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.605 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -115.66 108.44 25.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.147 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 12' ' ' VAL . 26.7 m -101.16 96.06 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.897 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.664 ' OE1' HD22 ' B' ' 72' ' ' LEU . 2.5 mt-30 -111.28 94.98 5.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.173 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.5 m -151.87 150.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.666 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -134.31 106.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 175.91 149.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.511 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.26 -156.6 21.56 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -82.9 -175.44 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.687 0.279 . . . . 0.0 110.576 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -147.72 144.19 28.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.32 143.72 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.474 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.51 132.93 35.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 t -142.89 129.91 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.649 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -94.16 141.52 28.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.693 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 mt -145.12 130.24 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -100.53 101.79 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.23 143.7 39.99 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.559 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -100.78 -137.71 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.589 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -100.67 -27.79 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.481 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 0.8 OUTLIER -78.22 16.72 0.72 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.504 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.65 33.89 42.51 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.92 141.61 33.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.706 0.289 . . . . 0.0 110.497 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.2 p -107.5 105.76 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.944 HG13 ' H ' ' A' ' 34' ' ' THR . 2.5 p -61.0 -95.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.944 ' H ' HG13 ' A' ' 33' ' ' VAL . 59.8 p -120.88 132.6 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.584 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.55 139.68 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 143.0 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.3 142.03 41.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.38 116.49 4.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.658 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -67.71 -9.2 41.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.19 -64.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.464 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.77 -29.61 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.455 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -37.5 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.749 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.414 ' O ' ' OE1' ' A' ' 47' ' ' GLU . 58.3 mtt-85 -74.77 -56.66 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -51.71 -25.96 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.57 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -75.61 -35.83 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.595 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -58.68 -18.69 39.44 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -78.37 -32.79 49.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.828 0.347 . . . . 0.0 110.66 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 2.5 mp0 -77.46 -30.75 53.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.3 p -93.68 -50.18 5.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.87 33.69 7.69 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.717 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.38 155.19 72.04 Favored Pre-proline 0 N--CA 1.463 0.193 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -35.78 100.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.278 0 C-N-CA 122.773 2.315 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -49.54 -21.12 4.81 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.181 1.921 . . . . 0.0 112.071 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -65.53 -51.2 61.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.13 -39.87 87.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.401 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.08 -45.35 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -60.6 -42.22 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.478 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.37 -19.89 60.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.5 tmm? -82.33 -56.23 4.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.565 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.553 HG23 HG11 ' B' ' 9' ' ' VAL . 2.2 p -64.81 -13.71 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -81.85 -49.62 10.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.2 -47.73 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.17 -63.14 1.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.61 -24.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.479 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 63' ' ' ALA . 3.6 ttp180 -69.7 -46.83 65.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.42 14.4 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 52.23 100.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.0 167.33 39.71 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -101.11 174.38 6.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.433 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 t -140.5 134.14 33.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.819 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 75' ' ' ARG . 5.8 m-20 -107.99 113.07 25.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.29 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.52 HD22 ' HG2' ' B' ' 13' ' ' GLN . 4.8 mp -70.45 -42.44 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -73.09 14.91 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.702 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.6 tt0 -152.03 -11.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.526 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' ASP . 6.8 mmt180 43.27 53.89 5.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.467 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -136.46 138.16 41.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.506 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.55 145.81 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 148.49 38.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.611 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.02 141.14 15.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.546 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.62 HG22 ' O ' ' B' ' 2' ' ' VAL . 2.0 p . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 121.146 0.498 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.64 124.22 3.5 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.684 2.256 . . . . 0.0 112.279 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -94.83 143.9 26.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.451 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -150.71 142.4 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -97.27 152.45 18.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -110.32 159.69 17.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.88 84.99 2.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.617 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.553 HG11 HG23 ' A' ' 60' ' ' VAL . 62.0 t -65.35 120.77 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.364 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.4 ' HB3' HH21 ' B' ' 10' ' ' ARG . 10.5 ttm105 -98.78 123.41 43.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -105.55 102.06 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.369 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 12' ' ' VAL . 21.8 m -92.33 106.6 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.708 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.52 ' HG2' HD22 ' A' ' 72' ' ' LEU . 1.9 mp0 -118.48 95.02 4.69 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.284 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.71 155.34 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.705 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 1.5 p -140.3 104.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.636 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.633 ' O ' HG12 ' A' ' 12' ' ' VAL . . . 173.14 153.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.01 -162.91 27.78 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -90.65 -168.35 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.292 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -137.28 136.17 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.699 HG13 ' OE2' ' B' ' 41' ' ' GLU . 95.6 t -106.73 153.6 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.413 ' N ' HG12 ' B' ' 20' ' ' VAL . 13.7 t -102.52 116.63 33.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.644 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.444 HG12 ' N ' ' B' ' 23' ' ' LYS . 60.8 t -134.17 155.68 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.444 ' N ' HG12 ' B' ' 22' ' ' VAL . 52.8 tttt -123.78 127.45 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.668 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.53 HD11 ' HB1' ' B' ' 64' ' ' ALA . 2.6 mt -136.01 126.36 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.365 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.91 152.0 21.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.654 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -133.5 160.5 37.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.541 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.21 144.6 42.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.653 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -89.68 26.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.23 13.99 24.07 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.378 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.36 26.24 55.21 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -139.57 137.13 35.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.686 0.279 . . . . 0.0 110.511 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 32' ' ' VAL . 6.3 m -107.63 127.59 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.514 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.994 HG12 ' H ' ' B' ' 34' ' ' THR . 9.6 t -63.22 -163.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.857 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.994 ' H ' HG12 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -112.81 163.51 14.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.969 0.414 . . . . 0.0 110.994 -179.417 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.76 143.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.534 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -131.4 89.65 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.39 160.35 29.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.635 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.79 124.01 30.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.715 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.833 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 40.5 p90 -67.91 -16.48 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.73 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.833 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 16.8 m-20 -76.54 -64.14 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.639 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.699 ' OE2' HG13 ' B' ' 20' ' ' VAL . 1.3 pp20? -55.35 -25.58 35.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.465 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 55.8 m -75.77 -31.23 59.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.457 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -81.38 -40.27 23.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -70.23 -38.61 75.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.4 mm -65.39 -24.96 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.86 -50.65 10.56 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -47.62 -23.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.492 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -79.09 -40.88 30.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.627 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.491 ' CG2' HE22 ' A' ' 13' ' ' GLN . 62.1 p -86.55 -50.03 7.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.46 33.69 5.56 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.502 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.419 ' CD1' ' NH1' ' B' ' 75' ' ' ARG . 0.7 OUTLIER -123.97 155.98 66.45 Favored Pre-proline 0 C--N 1.331 -0.202 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -35.0 99.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.893 2.395 . . . . 0.0 112.423 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -49.93 -19.9 4.39 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.228 1.952 . . . . 0.0 111.993 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -69.5 -54.57 13.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.583 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.24 -25.65 61.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -68.54 -39.47 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.591 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -65.08 -35.63 81.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.716 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.09 -11.77 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.471 ' SD ' HG21 ' B' ' 70' ' ' VAL . 11.0 tmm? -82.76 -47.77 11.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 p -75.87 -25.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -69.94 -51.33 33.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.81 -53.39 55.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.5 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -53.55 -60.54 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.536 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.53 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -43.43 -29.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.477 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -66.6 -42.47 86.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.357 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -103.29 -0.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.665 179.746 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 58.79 96.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.83 177.16 37.34 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.7 OUTLIER -101.17 174.1 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.374 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.471 HG21 ' SD ' ' B' ' 59' ' ' MET . 12.0 t -138.06 143.52 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.933 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.0 OUTLIER -132.93 113.07 12.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.045 179.417 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.664 HD22 ' OE1' ' A' ' 13' ' ' GLN . 1.5 mp -78.45 -31.67 48.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.616 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -63.11 -5.24 2.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.486 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' B' ' 76' ' ' GLU . 1.6 tt0 -148.28 -4.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.546 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' B' ' 71' ' ' ASP . 7.8 mmt180 52.01 62.26 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.48 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 74' ' ' GLU . 0.4 OUTLIER -127.88 169.23 14.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.445 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.519 ' O ' HG22 ' B' ' 77' ' ' ILE . 21.4 mt -131.01 85.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 69' ' ' TRP . 0.2 OUTLIER -64.83 132.72 50.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.691 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 6.3 p -101.69 143.1 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.438 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.429 ' CG ' ' HE1' ' B' ' 69' ' ' TRP . 37.7 mt-30 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo . . . . . 0 N--CA 1.488 1.171 0 CA-C-O 120.919 0.3 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -178.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -166.41 133.51 2.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -96.41 148.83 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.35 162.75 14.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.86 96.96 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.618 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.9 t -87.95 121.42 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -89.65 123.33 33.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 t -105.99 114.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.261 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.487 HG12 ' C ' ' B' ' 16' ' ' ALA . 15.0 m -98.13 134.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.29 95.13 3.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.002 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -112.43 151.74 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 p -105.58 144.9 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.458 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -38.73 141.6 0.26 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.26 -91.88 1.39 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 19' ' ' ARG . 40.2 t-105 -96.55 162.61 13.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.701 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 3.4 mtt180 -150.57 135.84 17.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 21' ' ' SER . 47.6 t -95.4 157.7 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.471 ' N ' HG12 ' A' ' 20' ' ' VAL . 22.9 t -105.15 132.29 51.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.7 t -142.99 139.25 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.2 106.92 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.512 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.7 mt -107.81 135.56 46.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.84 99.15 8.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.493 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -100.44 137.61 38.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.465 ' OG1' ' N ' ' A' ' 28' ' ' GLU . 30.4 p -100.97 -66.66 0.9 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.477 ' C ' ' H ' ' A' ' 30' ' ' GLY . 4.3 mm-40 -87.12 21.7 2.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 59.4 2.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -136.77 18.84 3.56 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -139.48 146.57 40.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 110.443 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.2 p -130.65 89.21 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.406 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.679 HG23 ' N ' ' A' ' 34' ' ' THR . 34.9 m -51.18 -56.02 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.114 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.679 ' N ' HG23 ' A' ' 33' ' ' VAL . 59.5 p -147.38 163.62 35.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.38 145.15 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.48 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -132.64 116.52 16.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.691 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.46 158.18 15.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.93 127.54 33.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.635 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.866 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 32.3 p90 -78.56 -25.68 45.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.741 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.866 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.89 -64.43 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -53.63 -38.44 64.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.1 m -70.85 -25.03 62.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 39' ' ' PHE . 14.0 mmm-85 -81.63 -31.17 32.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.96 -38.1 23.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.668 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.501 HD11 HG11 ' B' ' 11' ' ' VAL . 0.8 OUTLIER -64.27 -25.13 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.498 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.9 -22.99 74.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -82.84 -31.08 28.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 1.1 mm-40 -84.09 -24.69 30.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.556 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -98.38 -47.8 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.64 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.38 32.04 5.03 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mt -125.38 125.61 25.12 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.769 ' O ' HG23 ' A' ' 56' ' ' VAL . 84.0 Cg_exo -40.55 156.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.77 1.647 . . . . 0.0 111.735 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.28 -41.6 6.71 Favored 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 122.379 2.053 . . . . 0.0 112.341 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.2 mmm-85 -53.82 -56.64 15.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.356 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.98 -40.57 85.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 52' ' ' PRO . 93.2 t -62.15 -57.24 12.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -45.86 -43.16 13.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.71 84.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 59' ' ' MET . 4.4 tmm? -71.09 -48.94 49.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.465 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.435 ' N ' ' SD ' ' A' ' 59' ' ' MET . 97.8 t -71.99 -23.0 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -75.04 -60.59 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.88 -48.16 8.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.385 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' VAL . . . -52.52 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.692 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.73 -20.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' ALA . 31.0 ttp85 -80.83 -36.11 31.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.7 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -107.73 -2.83 10.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 155.51 -96.04 0.15 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 149.66 77.03 0.02 OUTLIER Glycine 0 CA--C 1.527 0.837 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.496 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.493 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 5.7 t-105 -159.69 136.35 9.2 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.625 HG12 ' N ' ' A' ' 71' ' ' ASP . 57.0 t -148.11 164.88 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 0.0 111.467 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.625 ' N ' HG12 ' A' ' 70' ' ' VAL . 35.3 m-20 -143.38 113.07 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.415 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 74' ' ' GLU . 5.9 mp -75.01 -62.67 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.53 -178.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -60.2 1.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.231 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 72' ' ' LEU . 8.3 mm-40 -131.38 -7.71 3.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.487 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 mmm-85 43.57 68.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.528 ' OE2' ' NZ ' ' A' ' 78' ' ' LYS . 7.2 mm-40 -145.79 124.36 12.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.603 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.7 mt -103.86 125.89 58.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.378 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.528 ' NZ ' ' OE2' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -147.4 -166.56 2.55 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.79 143.59 20.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.359 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.57 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.58 0.229 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -84.15 130.87 4.88 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.89 2.393 . . . . 0.0 112.244 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 54.2 p -108.97 150.99 26.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -155.76 148.37 23.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.482 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -86.33 141.77 28.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.732 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -110.32 137.83 47.51 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.466 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.96 101.9 12.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.67 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.05 112.73 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -67.62 137.26 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.501 HG11 HD11 ' A' ' 45' ' ' ILE . 54.2 t -140.34 91.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.454 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 m -112.12 151.44 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.59 98.2 3.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.085 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.425 ' O ' ' OE2' ' A' ' 74' ' ' GLU . 80.5 t -152.09 153.12 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.878 0.37 . . . . 0.0 110.697 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.541 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 2.5 p -140.3 142.08 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' B' ' 15' ' ' VAL . . . 72.11 -177.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.11 -63.49 0.12 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.81 -169.96 2.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.785 0.326 . . . . 0.0 110.515 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -144.1 124.98 14.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.611 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -116.75 119.43 61.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.479 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -81.99 152.47 26.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.668 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -137.86 164.24 28.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.55 110.24 9.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 mt -138.25 125.93 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.44 101.7 13.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -92.19 145.8 24.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p -100.11 -142.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 30' ' ' GLY . 9.0 mt-10 -100.68 -57.82 2.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.643 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -41.48 -22.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.739 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 28' ' ' GLU . . . 91.04 56.56 1.7 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -136.9 161.03 37.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.65 0.262 . . . . 0.0 110.631 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.712 ' O ' HG13 ' B' ' 32' ' ' VAL . 8.0 p -107.4 93.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.556 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.457 HG22 ' H ' ' B' ' 33' ' ' VAL . 0.0 OUTLIER -48.2 -57.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 -179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.05 163.15 39.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.602 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.71 126.08 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.461 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -132.57 94.57 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.614 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.47 146.15 36.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 1.6 tt0 -54.21 108.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.328 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 1.296 ' CD1' ' NH1' ' B' ' 43' ' ' ARG . 40.0 p90 -69.83 -18.71 63.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.733 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.18 -64.35 0.93 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.7 -23.75 44.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.662 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 99.9 m -77.85 -28.79 50.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 1.296 ' NH1' ' CD1' ' B' ' 39' ' ' PHE . 6.8 mtm180 -81.74 -29.64 32.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.406 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.422 ' O ' ' OE2' ' B' ' 48' ' ' GLU . 2.5 tt0 -81.46 -47.45 13.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.689 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -56.0 -20.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.33 -18.9 70.37 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -85.0 -20.31 30.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.602 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' B' ' 44' ' ' GLU . 0.4 OUTLIER -73.43 -41.79 62.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.667 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.87 HG21 HD22 ' B' ' 72' ' ' LEU . 1.5 m -92.31 -34.39 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.777 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.67 33.42 5.06 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 pt -122.53 148.34 52.67 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -59.42 163.67 12.25 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.883 1.722 . . . . 0.0 112.139 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' B' ' 56' ' ' VAL . 55.3 Cg_endo -71.66 -48.21 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.725 2.283 . . . . 0.0 112.389 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -43.71 -27.68 0.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' B' ' 75' ' ' ARG . 22.1 mm-40 -75.65 -33.7 60.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.688 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 53' ' ' PRO . 15.7 t -80.32 -58.33 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.498 ' NZ ' ' OE2' ' B' ' 61' ' ' GLU . 23.5 tttp -45.88 -41.78 11.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.02 -39.53 83.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.786 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -73.8 -61.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 16.9 t -41.33 -70.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.498 ' OE2' ' NZ ' ' B' ' 57' ' ' LYS . 33.7 mt-10 -43.46 -58.96 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.797 0.332 . . . . 0.0 110.535 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.78 -35.7 1.99 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.338 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' B' ' 60' ' ' VAL . . . -69.6 -59.95 2.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.583 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.39 -20.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' B' ' 63' ' ' ALA . 10.5 ttp85 -80.14 -47.3 14.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.786 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -98.7 1.16 10.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.692 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 48.08 99.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.13 175.6 42.85 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 5.6 m0 -100.95 162.66 12.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.69 0.281 . . . . 0.0 110.539 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.79 133.96 63.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.7 OUTLIER -102.1 112.93 25.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.18 179.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.87 HD22 HG21 ' B' ' 49' ' ' THR . 3.2 mt -74.85 -30.82 61.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -0.53 2.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.819 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -163.4 11.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' B' ' 71' ' ' ASP . 74.5 mtp180 40.83 46.4 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -107.3 179.09 4.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.09 157.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.627 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.55 146.41 28.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 3.9 t -84.63 140.16 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.572 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.616 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo . . . . . 0 N--CA 1.494 1.509 0 CA-C-O 120.881 0.284 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.91 150.82 30.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.618 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -153.78 151.78 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -102.63 153.59 19.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.94 130.51 48.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.69 97.98 8.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.649 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 t -75.04 117.57 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.436 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -97.81 123.25 41.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.52 101.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.589 ' O ' HG23 ' A' ' 12' ' ' VAL . 34.0 m -91.65 111.9 24.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.459 ' OE1' HG22 ' B' ' 49' ' ' THR . 12.9 mt-30 -107.25 94.5 5.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.164 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.42 153.56 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.718 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.664 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 2.0 p -139.41 116.5 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.564 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 163.39 172.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.541 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.11 176.97 39.0 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -98.78 -176.68 3.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.821 0.343 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -144.49 118.08 9.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.9 t -103.64 147.79 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.458 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.36 140.26 38.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.593 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 36' ' ' LYS . 96.3 t -142.94 145.17 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.488 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -107.07 134.96 49.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.559 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.617 HD11 ' HB1' ' A' ' 64' ' ' ALA . 5.9 mt -139.31 134.51 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.06 100.54 9.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.661 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -105.89 139.1 40.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.5 p -100.67 -97.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.474 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 5.0 mt-10 -61.67 -5.04 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 28' ' ' GLU . 9.6 tt0 78.43 -6.82 1.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.96 -18.83 21.28 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -139.54 141.48 37.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.726 0.298 . . . . 0.0 110.64 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.613 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.2 p -108.07 113.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.707 HG13 ' H ' ' A' ' 34' ' ' THR . 7.5 p -52.62 -59.28 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.707 ' H ' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -151.14 163.64 38.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.649 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.93 150.07 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.416 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' O ' HG13 ' A' ' 22' ' ' VAL . 1.5 ttmm -132.63 174.79 9.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.444 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.37 121.17 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.474 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -52.34 118.07 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -76.77 -9.65 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.725 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -64.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG3' ' H ' ' A' ' 41' ' ' GLU . 16.8 mt-10 -58.65 -39.06 79.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.582 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.0 m -61.16 -32.74 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -80.29 -55.86 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.501 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -24.46 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.3 mm -76.48 -34.12 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.81 -27.54 13.54 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -74.62 -23.46 58.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 0.0 110.548 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -86.85 -32.65 20.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.617 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -88.06 -49.69 6.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.461 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.47 -16.11 55.36 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.637 ' CD1' HH22 ' A' ' 75' ' ' ARG . 0.6 OUTLIER -89.68 156.46 47.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.467 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -38.81 157.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.466 2.111 . . . . 0.0 111.929 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.33 -49.44 0.29 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.288 1.992 . . . . 0.0 111.963 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -45.7 -54.63 7.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.39 -35.11 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.587 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.65 -34.22 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HZ3' ' CB ' ' A' ' 57' ' ' LYS . 6.6 ttpm? -71.3 -48.65 49.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.501 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.09 68.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 60' ' ' VAL . 9.3 tmm? -75.86 -57.17 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.409 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.473 ' N ' ' SD ' ' A' ' 59' ' ' MET . 1.4 p -61.52 -14.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -77.66 -53.57 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.43 -36.8 34.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.394 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -62.76 -62.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.617 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -43.52 -21.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.616 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -75.0 -47.55 28.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.5 2.23 10.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.747 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 46.4 98.16 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.35 -142.34 3.37 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.467 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -138.85 174.04 10.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.564 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -149.74 150.21 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.796 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -126.58 112.74 15.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.046 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.83 -21.64 65.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -39.12 0.52 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CD ' ' HE1' ' B' ' 69' ' ' TRP . 5.4 mt-10 -152.35 16.59 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.536 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.637 HH22 ' CD1' ' A' ' 51' ' ' ILE . 12.9 tpp180 60.1 83.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.549 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -134.62 125.81 27.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.631 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt -111.03 125.8 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.656 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -142.3 -174.95 4.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 80' ' ' GLN . 11.9 p -100.77 -42.45 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.523 ' N ' HG13 ' A' ' 79' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.691 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.567 ' O ' HG13 ' B' ' 2' ' ' VAL . 4.5 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.605 0.24 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.48 161.56 14.8 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.78 2.32 . . . . 0.0 112.126 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 53.6 p -133.57 151.17 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.624 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.536 HH11 ' CD ' ' B' ' 7' ' ' GLU . 6.0 ptm180 -153.14 138.02 17.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.527 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.421 ' CD1' ' OD2' ' B' ' 8' ' ' ASP . 49.7 p90 -79.34 146.48 32.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.536 ' CD ' HH11 ' B' ' 5' ' ' ARG . 3.7 tp10 -110.24 128.22 55.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.568 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.421 ' OD2' ' CD1' ' B' ' 6' ' ' PHE . 40.9 m-20 -99.28 101.07 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.618 HG12 ' N ' ' B' ' 10' ' ' ARG . 61.1 t -85.02 165.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.618 ' N ' HG12 ' B' ' 9' ' ' VAL . 24.0 ttm-85 -135.89 135.38 39.67 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.504 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.36 98.35 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.3 m -93.39 150.02 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.615 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -148.6 94.67 2.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.255 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.567 HG21 HG21 ' A' ' 12' ' ' VAL . 32.6 m -82.91 155.56 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.699 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -113.0 144.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.523 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.93 152.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.519 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.42 -109.36 0.83 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -77.55 167.07 22.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.867 0.365 . . . . 0.0 110.447 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -142.01 138.59 31.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.583 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -118.96 130.51 73.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.567 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.15 138.23 33.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.703 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.432 HG12 ' N ' ' B' ' 23' ' ' LYS . 96.4 t -140.46 153.96 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.432 ' N ' HG12 ' B' ' 22' ' ' VAL . 72.5 tttt -134.42 97.32 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.484 ' CG2' HG13 ' B' ' 35' ' ' VAL . 5.0 pt -108.43 134.81 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.39 111.53 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.616 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.18 136.04 41.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.475 ' C ' ' H ' ' B' ' 29' ' ' GLU . 40.9 p -100.3 -76.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.531 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -73.89 19.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.646 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' B' ' 27' ' ' THR . 4.9 mt-10 58.48 21.58 8.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.513 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.42 -41.74 0.05 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.7 142.86 32.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 110.714 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.643 ' O ' HG13 ' B' ' 32' ' ' VAL . 11.2 p -107.49 113.15 42.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.545 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.464 ' H ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -48.84 -57.92 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.667 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -151.32 147.73 27.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.572 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.484 HG13 ' CG2' ' B' ' 24' ' ' ILE . 5.6 t -102.92 141.45 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.669 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -132.75 82.3 1.99 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.716 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.7 151.11 34.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.517 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.8 119.94 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 1.057 ' CD1' ' NH2' ' B' ' 43' ' ' ARG . 23.7 p90 -78.11 -38.15 44.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.657 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.605 ' OD2' ' CZ ' ' B' ' 39' ' ' PHE . 1.2 m-20 -45.4 -60.23 2.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.92 -59.1 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.644 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 m -48.91 -26.59 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 1.057 ' NH2' ' CD1' ' B' ' 39' ' ' PHE . 82.8 mtt180 -81.96 -34.17 29.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.09 -25.97 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.856 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -26.46 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.902 0.382 . . . . 0.0 110.782 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.5 -18.79 66.08 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -87.77 -20.13 26.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -95.82 1.32 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.459 HG22 ' OE1' ' A' ' 13' ' ' GLN . 81.8 p -132.2 -25.29 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.07 -27.08 19.95 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.522 HG13 HD11 ' B' ' 72' ' ' LEU . 8.6 mm -60.62 133.03 91.43 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -68.95 154.24 71.18 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.428 1.418 . . . . 0.0 112.2 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -43.03 -62.64 0.41 Allowed 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.719 2.279 . . . . 0.0 113.273 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -43.14 -57.71 2.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.744 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -51.03 -56.1 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.841 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.29 -56.7 14.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.615 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' B' ' 61' ' ' GLU . 28.3 ttpt -45.93 -42.78 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -59.19 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.404 ' O ' ' HB3' ' B' ' 62' ' ' ALA . 54.5 tpp -54.21 -44.26 71.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.732 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.458 HG12 ' N ' ' B' ' 61' ' ' GLU . 4.8 t -56.12 -67.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.489 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.458 ' N ' HG12 ' B' ' 60' ' ' VAL . 12.0 mt-10 -43.32 -47.81 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.268 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 59' ' ' MET . . . -44.29 -38.94 4.18 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.243 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -64.2 -56.45 14.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.244 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.71 -20.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' B' ' 63' ' ' ALA . 1.5 ttt85 -80.69 -47.32 14.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -100.76 3.96 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.768 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 40.81 94.09 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.49 -169.4 34.34 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 1.7 p-90 -105.62 174.41 5.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 110.334 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 71.4 t -145.39 134.97 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' B' ' 75' ' ' ARG . 52.7 t0 -110.26 112.98 25.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.907 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.522 HD11 HG13 ' B' ' 51' ' ' ILE . 0.5 OUTLIER -76.34 -43.4 41.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.052 -179.689 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -6.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.572 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.456 ' H ' ' C ' ' B' ' 72' ' ' LEU . 41.0 mt-10 -139.26 -12.45 1.2 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.476 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' B' ' 71' ' ' ASP . 3.3 ttt85 57.11 70.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -146.17 151.87 38.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.58 125.36 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -127.64 144.99 51.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.68 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.415 ' O ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -67.81 -176.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.591 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.506 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.485 1.018 0 CA-C-O 120.839 0.266 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.3 p -103.14 138.13 40.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.433 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -108.19 143.45 36.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -103.44 136.62 42.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.585 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 29.0 tt0 -118.03 162.86 17.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.358 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 0.4 OUTLIER -130.57 113.9 14.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.4 t -100.92 130.29 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -92.63 123.17 35.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.03 101.02 8.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.7 m -81.35 142.94 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -147.63 95.22 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.254 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.13 136.06 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.74 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.64 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.9 p -140.35 114.71 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.707 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 165.63 153.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.38 -166.41 39.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -90.18 -177.08 5.05 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.802 0.334 . . . . 0.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' CZ ' ' NH1' ' B' ' 10' ' ' ARG . 57.6 mtt-85 -135.37 150.06 49.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.491 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.878 HG22 ' OE1' ' A' ' 41' ' ' GLU . 86.2 t -126.92 145.25 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.405 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.2 m -100.72 109.71 21.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.39 148.28 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -133.18 112.26 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.615 ' CG2' HG13 ' A' ' 35' ' ' VAL . 17.2 pt -131.38 142.62 42.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.574 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.54 142.34 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -133.48 143.34 48.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.8 p -92.37 -87.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 30' ' ' GLY . 2.2 mt-10 -89.34 20.73 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 62.45 -0.36 0.53 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.673 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -104.79 -19.02 11.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -136.74 136.52 39.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.671 0.272 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 p -107.42 130.42 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.92 HG13 ' H ' ' A' ' 34' ' ' THR . 2.6 p -66.74 -100.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.92 ' H ' HG13 ' A' ' 33' ' ' VAL . 6.1 t -122.12 144.01 49.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.627 0.251 . . . . 0.0 110.569 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 61' ' ' GLU . 63.8 t -99.47 137.11 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.601 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -132.81 106.53 7.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.413 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.59 138.14 36.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.484 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 5.0 mt-10 -49.89 109.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -78.17 -16.48 57.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -74.84 -45.94 39.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.759 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.878 ' OE1' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -75.12 -23.47 57.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.542 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 73.7 m -81.55 -18.4 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -32.62 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.591 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.9 -34.38 26.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.533 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -24.49 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.97 -32.15 79.03 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -65.52 -26.83 68.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.471 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.76 -21.2 32.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.729 HG22 HD21 ' A' ' 72' ' ' LEU . 69.1 p -91.75 -44.14 9.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.519 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.06 -20.01 51.95 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.41 156.31 56.67 Favored Pre-proline 0 C--N 1.33 -0.265 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -39.51 158.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.355 2.036 . . . . 0.0 111.753 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.85 -54.52 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.348 2.032 . . . . 0.0 112.053 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -45.37 -47.14 13.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.494 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -43.98 -51.88 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 59' ' ' MET . 56.9 t -56.73 -51.16 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.504 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -46.05 -53.33 10.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.52 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.3 -16.24 63.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.471 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.586 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -82.0 -51.93 7.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.749 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.2 p -76.16 -11.09 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.658 ' HG2' HG11 ' A' ' 35' ' ' VAL . 1.2 tm-20 -80.25 -55.19 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.451 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.89 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.446 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -50.07 -59.69 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.63 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.722 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.486 ' NH1' ' OE1' ' A' ' 61' ' ' GLU . 13.8 ttm-85 -70.07 -32.87 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.624 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ALA . 3.4 m -106.0 -7.16 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 49.43 87.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.2 -149.43 4.97 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.528 ' O ' ' CD1' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -132.8 154.9 49.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.669 0.271 . . . . 0.0 110.622 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.586 HG21 ' SD ' ' A' ' 59' ' ' MET . 13.1 t -129.98 146.65 33.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.698 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.52 ' OD2' ' CH2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -131.19 113.28 13.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.313 179.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.729 HD21 HG22 ' A' ' 49' ' ' THR . 2.4 mp -67.75 -58.86 3.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.584 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -75.14 47.88 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.636 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -172.67 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.418 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 56.31 66.17 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.76 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -137.61 138.27 39.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.7 mt -135.33 96.25 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.579 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 174.33 5.92 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 80' ' ' GLN . 3.1 p -102.27 157.13 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.576 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' GLY . 3.9 tt0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.525 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.67 0.272 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.36 138.53 46.61 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.622 2.215 . . . . 0.0 111.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 44.3 p -124.9 143.63 50.75 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.88 146.05 31.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.616 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -99.05 151.39 21.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.44 ' N ' ' CD ' ' B' ' 7' ' ' GLU . 4.3 mm-40 -110.39 175.41 5.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.34 86.1 1.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.531 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.618 HG12 ' N ' ' B' ' 10' ' ' ARG . 58.3 t -81.4 164.85 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.618 ' N ' HG12 ' B' ' 9' ' ' VAL . 13.9 ttm180 -137.57 123.31 19.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.663 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.74 105.8 19.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 16' ' ' ALA . 16.1 m -99.25 151.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.717 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.97 95.32 2.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.423 HG22 ' N ' ' B' ' 15' ' ' VAL . 2.8 p -154.18 154.09 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.423 ' N ' HG22 ' B' ' 14' ' ' VAL . 0.2 OUTLIER -140.22 107.73 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.74 169.54 2.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.54 166.14 26.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -96.97 -169.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -149.28 154.26 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.764 HG11 HG21 ' B' ' 60' ' ' VAL . 8.4 p -132.1 155.05 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.637 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.445 ' N ' HG22 ' B' ' 20' ' ' VAL . 18.6 t -105.42 115.74 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.438 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.64 143.82 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.353 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -109.61 127.75 54.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.618 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -133.33 124.32 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.457 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.656 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -101.97 134.69 44.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -133.41 126.31 30.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.6 p -76.66 -179.15 5.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -88.33 20.67 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -117.11 26.5 9.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.719 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 54.75 11.83 3.14 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -99.58 145.85 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.508 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.552 ' O ' HG13 ' B' ' 32' ' ' VAL . 9.8 p -107.57 120.8 59.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.493 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.945 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -61.54 -96.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.945 ' H ' HG13 ' B' ' 33' ' ' VAL . 6.6 m -146.86 136.54 23.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.782 0.325 . . . . 0.0 110.691 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.447 ' H ' HG12 ' B' ' 35' ' ' VAL . 0.9 OUTLIER -79.34 130.85 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.451 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -132.59 99.12 4.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.592 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.66 136.85 39.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -41.77 120.13 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.434 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -76.26 -10.12 59.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -75.57 -64.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.718 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 8.6 mt-10 -61.33 -46.41 90.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 93.8 m -53.94 -36.91 63.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.559 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -80.37 -50.6 9.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.391 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.48 -26.07 53.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.489 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 26.9 mt -74.05 -44.11 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.545 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' B' ' 50' ' ' GLY . . . -54.98 -22.9 29.5 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -77.06 -34.13 57.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 110.613 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -83.5 -25.43 31.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.575 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -100.03 -37.38 9.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' B' ' 46' ' ' GLY . . . 102.42 -26.88 22.67 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.2 mm -60.36 132.43 90.57 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.43 ' O ' HG23 ' B' ' 56' ' ' VAL . 80.6 Cg_exo -39.93 157.41 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.223 0 C-N-CA 121.795 1.663 . . . . 0.0 111.795 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.52 -57.04 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.265 1.977 . . . . 0.0 112.128 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -45.48 -56.84 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.456 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -46.77 -59.25 3.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.705 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 52' ' ' PRO . 83.8 t -48.09 -49.92 11.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.634 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -51.04 -30.98 17.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.81 -24.05 33.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.586 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' B' ' 59' ' ' MET . 7.5 tmm? -74.64 -56.63 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.764 HG21 HG11 ' B' ' 20' ' ' VAL . 4.0 p -64.53 -34.61 70.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.755 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' B' ' 62' ' ' ALA . 4.6 tm-20 -57.97 -60.31 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.352 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.442 ' N ' ' CD ' ' B' ' 61' ' ' GLU . . . -48.95 -31.74 7.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.169 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -70.01 -27.02 64.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.445 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 61' ' ' GLU . . . -74.69 -21.76 59.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.323 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -79.32 -38.52 35.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.771 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.64 -25.74 3.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 66.44 102.51 0.02 OUTLIER Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.04 -162.03 25.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -108.54 163.28 13.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.765 0.317 . . . . 0.0 110.457 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.6 t -144.83 133.7 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.33 112.87 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.078 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 tp -71.36 -41.81 69.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.599 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.93 32.12 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.192 0.52 . . . . 0.0 110.901 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' B' ' 72' ' ' LEU . 23.4 tt0 -173.03 -18.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 ttp85 63.72 47.19 3.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' B' ' 74' ' ' GLU . 0.6 OUTLIER -103.77 165.83 10.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.619 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 7.6 mt -144.45 102.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . 0.433 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 3.7 mmtm -99.37 164.36 12.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.528 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.538 HG12 ' H ' ' B' ' 80' ' ' GLN . 0.7 OUTLIER -101.49 -152.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.396 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.538 ' H ' HG12 ' B' ' 79' ' ' VAL . 5.4 pt20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.704 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.488 1.157 0 CA-C-O 120.69 0.204 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.71 155.61 18.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -166.34 147.06 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.515 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -87.64 153.11 21.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.524 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -124.28 151.28 44.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -113.96 115.04 27.01 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.683 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.08 167.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.473 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -129.4 128.06 42.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.592 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 t -123.78 138.13 54.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.6 m -118.63 95.98 4.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.713 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.483 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -109.86 95.27 5.49 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.478 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 15' ' ' VAL . 74.6 t -153.65 153.49 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.9 p -140.34 111.22 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.501 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 169.31 155.98 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 173.74 174.36 40.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -77.3 -168.19 1.07 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.773 0.32 . . . . 0.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -135.27 146.52 48.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.419 HG11 HG21 ' A' ' 60' ' ' VAL . 94.0 t -134.04 142.85 40.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.68 143.23 31.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 t -143.02 137.92 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.485 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -107.43 118.01 35.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.641 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.47 HD11 ' HB1' ' A' ' 64' ' ' ALA . 96.5 mt -115.13 121.53 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.29 120.9 41.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.724 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.64 168.76 9.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.48 ' C ' ' H ' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -135.75 -87.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 30' ' ' GLY . 5.8 mm-40 -75.47 25.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' THR . 11.9 tt0 50.15 14.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 28' ' ' GLU . . . -145.53 4.09 1.23 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -138.21 136.13 36.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.747 0.308 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 32' ' ' VAL . 2.8 p -107.49 93.88 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.578 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.718 HG23 ' H ' ' A' ' 34' ' ' THR . 34.3 m -52.67 -59.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.718 ' H ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -151.16 163.47 38.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.755 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.9 m -144.35 119.13 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.513 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.1 155.3 17.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.57 147.87 45.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.489 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.3 mm-40 -57.46 116.01 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.482 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 1.004 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 34.5 p90 -80.64 -17.96 49.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 1.004 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 3.4 m-20 -77.66 -64.36 1.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.645 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -57.8 -31.81 66.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 22.3 m -66.26 -45.61 79.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.676 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLY . 6.4 ttm180 -78.21 -50.02 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -42.91 -33.64 0.82 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.513 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.6 mt -84.88 -31.12 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.601 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -46.51 -29.02 3.73 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.71 -30.83 63.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 0.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ILE . 51.5 mm-40 -82.65 -16.64 47.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.519 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.6 p -93.6 -50.16 5.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.593 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.45 18.64 54.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.45 155.89 71.16 Favored Pre-proline 0 N--CA 1.463 0.218 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -34.99 99.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 123.027 2.485 . . . . 0.0 112.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.0 -15.16 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.195 1.93 . . . . 0.0 111.933 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -67.47 -56.36 9.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.456 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -45.99 -53.7 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.692 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.5 t -43.91 -54.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.642 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -49.36 -40.52 35.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.461 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.99 -26.41 36.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.441 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -72.32 -56.18 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.667 HG13 ' N ' ' A' ' 61' ' ' GLU . 8.8 p -52.49 -53.98 17.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.441 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.667 ' N ' HG13 ' A' ' 60' ' ' VAL . 63.5 mt-10 -43.46 -48.63 7.26 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.252 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 65' ' ' ARG . . . -50.42 -47.98 56.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.254 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.594 ' HB1' ' HA2' ' A' ' 68' ' ' GLY . . . -43.86 -62.81 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.381 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.47 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -52.12 -20.53 2.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.619 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 62' ' ' ALA . 23.6 ttm-85 -84.64 -28.07 26.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.973 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.677 ' O ' HG22 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -121.68 14.66 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.718 -179.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.63 ' CA ' HG13 ' A' ' 79' ' ' VAL . . . 133.74 -107.94 0.71 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.594 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 169.04 67.93 0.03 OUTLIER Glycine 0 CA--C 1.532 1.148 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.533 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.447 ' HB3' ' H ' ' A' ' 78' ' ' LYS . 0.9 OUTLIER -161.38 135.01 6.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.631 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.424 HG21 ' SD ' ' A' ' 59' ' ' MET . 2.6 t -142.89 135.95 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.268 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 76' ' ' GLU . 1.1 m-20 -120.59 113.83 20.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.219 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.494 HD22 ' OE1' ' B' ' 13' ' ' GLN . 5.1 mp -82.79 -53.12 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -70.59 7.81 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.4 mt-10 -141.8 -10.07 0.91 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.679 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 50.13 59.51 4.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.485 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' O ' ' OD2' ' A' ' 71' ' ' ASP . 3.6 mm-40 -138.14 156.67 47.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.1 mt -131.53 131.83 62.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.447 ' H ' ' HB3' ' A' ' 69' ' ' TRP . 1.2 mttm -138.06 -177.64 4.92 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.587 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 66' ' ' VAL . 45.1 t -110.14 -82.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.891 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.591 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.607 0.242 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -51.75 167.44 0.43 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.641 2.227 . . . . 0.0 112.154 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -167.4 154.47 8.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -147.53 135.9 21.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -77.48 145.25 37.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.571 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -134.93 132.05 38.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' B' ' 8' ' ' ASP . 0.2 OUTLIER -96.6 156.84 16.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.65 145.83 34.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.47 123.32 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -113.79 115.04 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -122.7 136.11 60.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.494 ' OE1' HD22 ' A' ' 72' ' ' LEU . 1.9 mt-30 -141.48 97.3 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.402 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.467 HG22 ' N ' ' B' ' 15' ' ' VAL . 7.3 p -153.39 155.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.64 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 2.3 p -138.16 144.39 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.506 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' B' ' 15' ' ' VAL . . . 77.05 159.67 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.586 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.14 -62.66 0.03 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.36 -171.87 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.543 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -142.43 138.92 31.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.712 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.556 HG13 ' CD ' ' B' ' 41' ' ' GLU . 95.1 t -136.36 141.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.28 152.8 19.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.589 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 t -136.1 165.09 30.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.365 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -133.9 120.05 19.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.409 HG23 HG22 ' B' ' 35' ' ' VAL . 1.3 mt -132.19 151.36 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.99 107.47 6.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.534 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -84.43 162.27 20.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.568 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.4 p -137.14 -61.68 0.65 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' B' ' 29' ' ' GLU . 28.4 mt-10 -82.39 0.29 42.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' B' ' 28' ' ' GLU . 8.5 tt0 77.2 18.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -155.16 -38.54 0.02 OUTLIER Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.17 149.33 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.722 0.296 . . . . 0.0 110.64 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.645 ' O ' HG13 ' B' ' 32' ' ' VAL . 13.2 p -107.54 111.43 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.729 HG13 ' H ' ' B' ' 34' ' ' THR . 7.5 p -52.78 -59.6 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.952 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.729 ' H ' HG13 ' B' ' 33' ' ' VAL . 98.7 m -151.38 163.32 39.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.737 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.588 ' N ' HG22 ' B' ' 34' ' ' THR . 89.3 t -136.01 135.23 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.523 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -132.88 87.61 2.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.479 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.13 147.99 51.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.635 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.18 106.49 0.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -71.2 -17.09 62.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.738 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.6 -64.2 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.556 ' CD ' HG13 ' B' ' 20' ' ' VAL . 1.5 pp20? -54.56 -26.94 35.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' OE2' ' B' ' 41' ' ' GLU . 1.3 m -75.19 -43.26 53.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.712 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -66.79 -44.9 80.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.579 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' B' ' 44' ' ' GLU . 0.4 OUTLIER -67.66 -37.69 82.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' B' ' 41' ' ' GLU . 1.4 mm -63.28 -55.26 24.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.34 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -47.69 -18.86 0.73 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -81.36 -41.65 21.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.692 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.91 4.8 24.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 29.1 p -130.83 -40.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.28 -25.53 27.4 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.8 mm -55.47 128.86 68.8 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.679 ' O ' HG23 ' B' ' 56' ' ' VAL . 72.0 Cg_exo -42.04 157.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.749 1.633 . . . . 0.0 111.619 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.23 -54.8 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.322 2.014 . . . . 0.0 112.077 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -51.18 -54.84 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.444 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -51.01 -42.11 60.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.615 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 52' ' ' PRO . 97.1 t -67.92 -47.84 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 110.505 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -47.36 -44.61 24.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.99 -58.74 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' B' ' 59' ' ' MET . 10.2 tmm? -44.19 -32.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.504 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.7 t -82.5 -51.49 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.797 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.74 -44.49 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.34 97.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.402 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -47.45 -63.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.67 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.32 -26.92 32.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.717 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -63.95 -28.7 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.665 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.53 -2.53 6.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 51.76 95.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.46 -172.62 29.05 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -107.61 166.61 10.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.776 0.322 . . . . 0.0 110.622 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.448 HG22 HG23 ' B' ' 77' ' ' ILE . 96.8 t -142.85 133.16 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.2 OUTLIER -109.55 113.02 25.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.501 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -79.65 -54.17 6.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.74 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -58.82 -2.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.686 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.6 mt-10 -136.99 -8.91 1.8 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' B' ' 71' ' ' ASP . 5.3 mtt-85 51.99 79.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.89 145.79 28.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.571 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . 0.448 HG23 HG22 ' B' ' 70' ' ' VAL . 16.5 mt -139.25 116.23 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -137.93 163.55 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -179.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo . . . . . 0 N--CA 1.486 1.047 0 CA-C-O 120.631 0.18 . . . . 0.0 112.259 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.99 175.74 0.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.385 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -167.36 144.11 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -99.65 153.56 18.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.568 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -127.45 127.03 43.41 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -102.85 95.38 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.775 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.16 124.79 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.497 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -97.42 123.39 41.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.71 107.35 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.342 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 12' ' ' VAL . 25.4 m -97.85 103.89 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.763 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.752 ' H ' ' NE2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -113.69 95.35 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.083 0.468 . . . . 0.0 110.347 179.58 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -152.99 151.86 11.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 15' ' ' VAL . 33.8 m -140.44 116.98 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.433 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.651 ' O ' HG12 ' B' ' 12' ' ' VAL . . . 172.64 157.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.18 -169.52 40.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -83.91 -175.81 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.615 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -146.0 112.6 5.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -96.16 140.41 17.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.13 132.05 34.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.645 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 t -142.44 126.62 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -102.35 120.7 40.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.784 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.606 HD11 ' HB1' ' A' ' 64' ' ' ALA . 1.3 mt -124.75 125.35 69.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.486 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.597 ' HB3' HG11 ' A' ' 33' ' ' VAL . . . -98.21 112.28 24.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.99 146.35 30.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.517 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.0 p -105.48 -169.68 1.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.8 9.51 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -96.63 -27.86 14.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.469 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.39 38.15 2.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.19 152.86 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.519 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 32' ' ' VAL . 13.9 p -107.36 128.08 62.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.682 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.97 HG13 ' H ' ' A' ' 34' ' ' THR . 2.4 p -66.97 -95.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.507 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.97 ' H ' HG13 ' A' ' 33' ' ' VAL . 19.7 m -138.87 121.77 16.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.803 0.335 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 m -74.53 146.9 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -132.67 127.14 34.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.475 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.76 144.33 51.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.7 tt0 -65.11 121.57 15.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.669 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 45.2 p90 -74.12 -14.08 60.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.678 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.576 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -76.45 -64.57 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -53.41 -31.62 45.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.518 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 92.6 m -66.98 -50.75 61.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -49.91 36.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.92 -31.42 28.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.664 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -73.78 -40.67 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.82 -31.29 38.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.73 -20.28 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.63 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -87.12 -36.02 18.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.688 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.2 p -88.39 -50.19 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.06 33.98 5.83 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.69 155.65 69.36 Favored Pre-proline 0 N--CA 1.464 0.227 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -35.44 99.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.892 2.395 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.2 -23.06 12.31 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.303 2.002 . . . . 0.0 112.017 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -66.57 -52.63 43.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -58.8 -34.89 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 60' ' ' VAL . 48.9 t -52.8 -56.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -51.22 -54.84 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.66 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.64 84.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.489 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 59' ' ' MET . 8.5 tmm? -64.03 -45.01 90.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.534 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 95.8 t -60.25 -64.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.665 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -43.4 -56.71 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.7 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.99 -33.96 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.417 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 60' ' ' VAL . . . -68.35 -58.51 4.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.729 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.606 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -49.04 -20.46 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.635 ' HE ' ' CA ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -78.99 -41.9 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.916 -179.704 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.14 -6.44 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.878 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 156.11 -94.48 0.14 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.514 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 150.96 72.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.227 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.403 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 8.5 t-105 -160.34 135.97 8.24 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.7 t -148.04 146.06 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 111.177 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -123.71 112.41 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.782 179.224 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.477 ' C ' ' N ' ' A' ' 74' ' ' GLU . 7.6 mp -77.63 -22.52 50.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.609 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -47.82 -13.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' C ' ' A' ' 72' ' ' LEU . 1.8 tm-20 -173.75 14.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 57.12 97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.642 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -145.99 117.29 7.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.1 mm -84.02 103.95 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -113.24 165.46 12.39 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.163 0.506 . . . . 0.0 110.671 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.11 143.06 25.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.219 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.492 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -83.42 137.83 8.3 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.646 2.23 . . . . 0.0 112.174 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 82.5 p -97.24 147.57 23.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -139.5 139.57 36.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -100.56 145.64 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.606 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -117.83 128.81 55.21 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.509 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.402 ' OD2' ' N ' ' B' ' 8' ' ' ASP . 3.9 m-20 -100.17 88.69 3.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.659 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.24 126.65 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -101.69 123.3 45.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.773 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.4 t -112.08 106.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.626 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 16' ' ' ALA . 2.4 m -103.06 142.1 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -145.04 94.42 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.308 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.4 152.2 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.662 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.559 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 1.0 OUTLIER -139.58 106.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.601 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 169.62 147.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.16 -166.36 31.47 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -77.45 -177.18 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.624 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -151.36 119.68 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.707 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.422 HG22 ' N ' ' B' ' 21' ' ' SER . 7.2 p -104.46 153.54 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.422 ' N ' HG22 ' B' ' 20' ' ' VAL . 45.0 t -102.86 125.76 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.491 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.05 142.45 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.587 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -102.67 129.71 49.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.556 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.778 HD11 ' HB1' ' B' ' 64' ' ' ALA . 6.8 mt -135.35 127.37 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.3 104.22 15.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -100.66 128.91 46.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.592 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 3.4 t -88.62 -169.3 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.569 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.519 ' N ' ' OG1' ' B' ' 27' ' ' THR . 3.3 tp10 -80.06 26.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.402 ' H ' HG23 ' B' ' 27' ' ' THR . 1.0 OUTLIER -124.75 15.7 8.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.623 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.87 17.32 1.46 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -102.92 159.41 15.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.775 0.321 . . . . 0.0 110.502 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.709 ' O ' HG13 ' B' ' 32' ' ' VAL . 7.4 p -107.51 96.74 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.417 ' H ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -52.2 -59.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.719 -179.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.23 163.5 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.709 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.23 141.93 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.379 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -131.47 98.41 4.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.6 158.54 29.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.76 122.17 28.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 0.67 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 32.6 p90 -77.64 -9.52 59.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.67 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 14.5 m-20 -77.68 -64.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 12.1 mt-10 -57.36 -35.77 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.602 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -46.31 90.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -71.8 -34.3 69.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.58 -54.74 31.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.521 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.416 ' C ' ' N ' ' B' ' 47' ' ' GLU . 85.8 mt -68.73 -28.54 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.42 -18.96 0.38 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' B' ' 45' ' ' ILE . 0.5 OUTLIER -77.64 -42.43 34.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.757 0.313 . . . . 0.0 110.506 -179.833 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.53 -22.51 66.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.651 HG22 HD21 ' B' ' 72' ' ' LEU . 19.5 p -84.69 -50.08 7.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.64 -9.97 68.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.2 156.33 35.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.357 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -38.85 158.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.213 1.942 . . . . 0.0 111.806 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -71.94 -49.03 0.33 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.249 1.966 . . . . 0.0 112.056 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -47.64 -54.71 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.528 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -44.53 -38.36 4.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.573 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.26 -54.19 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.649 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -45.98 -41.3 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.93 91.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.626 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.554 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -69.44 -42.1 75.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.766 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 68.2 t -73.45 -30.91 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.662 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.48 -57.83 5.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.484 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.64 57.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -55.5 -62.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.778 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -43.37 -33.81 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.608 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -60.79 -44.0 97.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.463 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -1.72 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.51 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 46.1 96.36 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.57 -174.89 33.95 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -104.68 160.32 15.06 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.029 0.442 . . . . 0.0 110.406 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.554 HG21 ' SD ' ' B' ' 59' ' ' MET . 22.3 t -137.47 148.88 25.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.6 113.06 20.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.651 HD21 HG22 ' B' ' 49' ' ' THR . 1.3 mp -67.83 -61.04 2.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.694 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -75.45 49.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.604 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -177.88 -23.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.508 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 57.16 75.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.654 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -138.06 159.19 42.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.467 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mt -138.27 103.64 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.667 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . 0.445 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 2.8 mmtm -97.67 158.67 15.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.481 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 13.1 t -101.12 141.42 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.637 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 N--CA 1.488 1.183 0 CA-C-O 120.811 0.255 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.84 153.25 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -138.37 120.97 16.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.673 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -86.56 136.83 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -110.3 128.97 55.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.487 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.487 ' OD1' ' NH1' ' B' ' 19' ' ' ARG . 2.0 m-20 -101.66 100.1 10.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.639 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 9' ' ' VAL . 1.6 t -79.99 160.68 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.562 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ttm105 -134.94 122.98 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -112.54 111.26 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.12 148.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.749 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.03 95.55 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.37 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.23 148.4 22.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.586 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.8 144.47 17.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.515 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.02 159.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.43 -92.1 0.33 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -70.49 169.03 14.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.773 0.321 . . . . 0.0 110.646 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.34 115.31 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.525 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 21' ' ' SER . 46.0 t -95.08 158.4 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.508 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.489 ' N ' HG12 ' A' ' 20' ' ' VAL . 16.2 t -127.62 120.99 29.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.691 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 23' ' ' LYS . 43.8 t -110.07 157.39 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.441 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.466 ' N ' HG12 ' A' ' 22' ' ' VAL . 46.5 mttp -132.64 110.72 10.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.451 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -99.16 141.58 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.604 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.92 101.77 12.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -95.26 134.32 38.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.501 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.55 -61.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.611 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -94.75 18.14 12.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.513 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 54.52 14.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.1 -44.43 0.18 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.35 149.17 27.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.704 ' O ' HG13 ' A' ' 32' ' ' VAL . 8.1 p -107.38 97.57 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 34' ' ' THR . 7.2 p -49.15 -56.74 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.682 ' N ' HG13 ' A' ' 33' ' ' VAL . 3.4 m -151.28 157.55 42.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.816 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.45 148.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.356 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -132.93 114.6 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.531 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.09 149.47 21.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -64.92 99.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.719 ' CZ ' ' OD2' ' A' ' 40' ' ' ASP . 24.7 p90 -58.6 -41.22 85.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.6 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.719 ' OD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -46.89 -56.31 6.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.648 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HG3' HG22 ' A' ' 20' ' ' VAL . 4.4 tm-20 -56.93 -60.07 4.12 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.138 0.494 . . . . 0.0 110.492 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 41' ' ' GLU . 4.5 m -41.16 -38.09 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.974 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -38.8 29.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.698 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -66.72 -60.78 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -49.81 -31.89 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.424 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.61 -19.08 18.23 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -84.02 -39.05 20.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 3.0 mm-40 -74.0 -24.72 59.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -84.98 -49.6 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.45 15.72 42.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.5 156.87 69.85 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -39.85 144.91 0.31 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.304 2.003 . . . . 0.0 111.928 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.7 -5.15 15.76 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.252 1.968 . . . . 0.0 112.456 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -57.04 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.359 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.01 -23.05 30.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.711 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 t -83.04 -52.4 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.641 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' C ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -45.53 -52.06 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.373 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.15 -56.14 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.698 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 59' ' ' MET . 11.3 tmm? -41.29 -51.48 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 90.6 t -63.36 -51.78 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -53.35 -48.82 68.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.421 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.68 -37.4 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.485 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -59.93 -63.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.13 -21.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -73.51 -47.26 42.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -106.82 2.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.805 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 45.47 97.95 0.01 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.85 -148.54 5.22 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -133.58 161.38 34.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.91 154.05 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.49 112.31 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.078 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.5 mp -74.86 1.04 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.965 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -40.83 -26.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.489 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LEU . 20.2 pt-20 -173.39 30.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.337 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 60.64 79.46 0.24 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.646 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.43 150.24 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.93 121.35 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.17 132.58 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -89.12 -163.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.637 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.533 0.3 0 CA-C-O 120.578 0.228 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -51.1 145.18 26.44 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.437 2.091 . . . . 0.0 112.179 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.6 p -132.69 126.3 32.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.454 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.1 140.27 38.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.552 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -99.18 136.67 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.41 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.77 167.07 11.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.54 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -138.39 143.96 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.91 117.95 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -89.89 146.27 24.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.21 130.17 51.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.533 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.712 HG23 ' O ' ' B' ' 12' ' ' VAL . 32.3 m -134.12 98.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.701 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -105.15 94.72 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.228 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.406 HG12 ' N ' ' B' ' 15' ' ' VAL . 91.6 t -152.14 152.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.583 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.591 ' O ' HG23 ' B' ' 15' ' ' VAL . 27.8 m -121.69 118.75 56.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.443 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.17 173.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.72 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.57 159.57 7.98 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -98.57 -168.57 1.66 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.448 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.487 ' NH1' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -145.68 154.39 42.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.476 HG11 HG11 ' B' ' 60' ' ' VAL . 51.5 t -134.27 148.1 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.348 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -102.12 141.02 35.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.521 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 5.8 t -139.33 126.13 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.569 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -101.26 111.43 23.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.65 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.583 HG23 HG12 ' B' ' 35' ' ' VAL . 0.3 OUTLIER -118.03 137.78 50.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.444 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.586 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -99.67 117.4 33.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -107.15 141.92 37.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.522 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p -96.63 -165.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -88.39 -48.18 7.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.619 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' B' ' 29' ' ' GLU . 1.9 mp0 -48.75 -23.77 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.63 19.49 17.73 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -101.37 155.85 17.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.445 ' O ' HG13 ' B' ' 32' ' ' VAL . 8.7 p -107.55 127.69 63.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.92 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -75.49 -97.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.92 ' H ' HG13 ' B' ' 33' ' ' VAL . 2.2 m -134.72 143.5 47.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.54 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.583 HG12 HG23 ' B' ' 24' ' ' ILE . 3.2 m -98.59 136.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.581 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.7 96.49 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.69 142.98 38.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -61.71 106.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' PHE . . . . . 1.058 ' HD1' ' NH1' ' B' ' 43' ' ' ARG . 47.0 p90 -65.0 -4.41 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 2.6 m-20 -76.83 -64.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.661 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.59 -25.53 68.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -40.65 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.636 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . 1.058 ' NH1' ' HD1' ' B' ' 39' ' ' PHE . 6.2 ttm-85 -65.88 -56.43 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.94 -25.57 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.2 mm -76.86 -24.65 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.42 -24.14 61.18 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . 0.426 ' OE2' ' N ' ' B' ' 47' ' ' GLU . 4.7 mp0 -79.05 -20.13 49.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.527 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -87.19 -36.07 18.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.66 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 53.6 p -84.94 -46.74 10.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.43 -21.78 39.9 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.32 156.42 62.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -38.79 157.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.43 0 C-N-CA 122.37 2.047 . . . . 0.0 111.863 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.48 -56.15 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.345 2.03 . . . . 0.0 112.11 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -43.9 -52.07 7.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.01 -42.9 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.632 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.3 t -65.89 -42.61 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -59.45 -40.83 88.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.776 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.11 -59.96 2.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.638 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' MET . . . . . 0.488 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -51.71 -43.84 62.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.476 HG11 HG11 ' B' ' 20' ' ' VAL . 59.3 t -72.61 -39.35 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.76 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.16 -54.87 42.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.884 0.373 . . . . 0.0 110.355 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.78 -51.06 54.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.482 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -43.75 -55.07 4.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.616 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.71 -30.34 21.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.538 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -72.17 -31.56 66.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.784 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 m -103.78 -9.81 9.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.712 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 54.29 81.3 0.06 OUTLIER Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.422 ' C ' ' CE3' ' B' ' 69' ' ' TRP . . . -161.31 -174.92 31.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' TRP . . . . . 0.556 ' CD2' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -105.98 170.09 8.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 110.494 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' B' ' 59' ' ' MET . 8.0 t -140.02 140.66 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.53 113.09 25.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 mp -72.14 -51.44 21.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.537 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -74.32 34.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.3 mm-40 -170.59 -10.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.541 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ARG . . . . . 0.445 ' H ' ' H ' ' B' ' 74' ' ' GLU . 28.0 mtt85 48.21 80.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.88 0.371 . . . . 0.0 110.635 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -145.55 161.61 39.37 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.474 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -133.22 76.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.487 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 113.38 1.02 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.626 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' B' ' 80' ' ' GLN . 1.3 p -100.66 142.62 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.424 ' CB ' ' O ' ' B' ' 79' ' ' VAL . 2.1 tt0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.579 0.228 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -51.92 103.35 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.687 2.258 . . . . 0.0 111.971 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.26 133.2 33.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.627 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.44 ' NH2' ' OE2' ' B' ' 26' ' ' GLU . 5.7 mmm-85 -105.2 146.87 28.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.535 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -124.56 149.6 46.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.548 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.39 131.75 51.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.406 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.5 87.03 5.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.686 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.605 HG12 ' N ' ' A' ' 10' ' ' ARG . 59.8 t -76.0 165.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.605 ' N ' HG12 ' A' ' 9' ' ' VAL . 1.6 ttm180 -137.6 133.88 34.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.682 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -119.21 109.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.323 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 12' ' ' VAL . 27.1 m -102.93 125.81 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -126.19 100.39 6.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' O ' ' OE2' ' B' ' 74' ' ' GLU . 2.6 t -146.08 155.45 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.674 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.638 ' O ' HG13 ' A' ' 15' ' ' VAL . 11.7 p -134.6 115.81 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 172.29 -177.38 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.587 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.04 135.61 2.63 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -93.6 149.78 20.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.671 0.272 . . . . 0.0 110.589 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -106.54 150.65 25.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.536 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.567 HG22 ' OE2' ' A' ' 41' ' ' GLU . 59.6 t -124.34 141.47 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.07 136.57 42.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.5 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.7 t -136.49 141.59 40.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.8 126.01 49.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.62 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.5 mt -133.71 115.34 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.32 138.15 31.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.56 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -133.36 158.52 42.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.607 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.82 -73.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.675 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -76.86 15.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.603 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 54.45 30.62 13.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.479 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.42 -33.94 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -101.89 133.32 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.69 0.281 . . . . 0.0 110.597 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 32' ' ' VAL . 12.0 p -107.41 109.17 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.726 HG13 ' H ' ' A' ' 34' ' ' THR . 7.4 p -53.81 -59.91 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.726 ' H ' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -151.27 163.58 38.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.641 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 35' ' ' VAL . 22.4 m -138.66 115.73 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.409 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -113.39 139.84 48.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.758 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.78 146.05 35.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -59.69 107.94 0.67 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.568 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -70.19 -16.6 63.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.449 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.2 -63.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.567 ' OE2' HG22 ' A' ' 20' ' ' VAL . 1.3 pp20? -55.77 -23.16 28.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.608 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.0 m -77.31 -39.52 47.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.549 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -34.49 76.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.545 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -76.51 -28.34 56.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.5 mm -74.79 -24.71 18.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.592 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.28 -27.5 65.5 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -70.09 -30.78 68.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.716 0.293 . . . . 0.0 110.468 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.63 -32.3 32.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.595 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -85.21 -50.03 7.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.5 -18.85 54.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -85.8 156.65 58.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -38.7 157.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.319 2.013 . . . . 0.0 111.884 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.89 -47.91 0.54 Allowed 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.277 1.985 . . . . 0.0 112.254 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.9 ttp85 -52.17 -48.89 64.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.601 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -47.6 -36.34 10.59 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.68 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.63 -37.05 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -61.63 -54.01 48.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -25.8 67.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 59' ' ' MET . 10.3 tmm? -78.75 -51.16 10.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.485 HG11 HG11 ' A' ' 20' ' ' VAL . 71.5 t -74.09 -13.36 15.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -79.84 -62.33 1.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.35 -35.59 39.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -67.42 -38.76 85.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.565 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.19 -21.74 65.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -78.19 -41.89 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.567 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -100.25 -0.36 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.492 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 48.74 99.07 0.01 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.47 ' O ' HG13 ' B' ' 9' ' ' VAL . . . -160.97 178.92 36.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.538 ' HE1' ' CB ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -102.83 174.23 5.97 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.939 0.399 . . . . 0.0 110.392 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 t -142.84 143.94 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.7 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.49 ' OD2' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -127.95 112.85 15.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.384 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mp -76.49 -16.32 59.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.499 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -53.67 -23.97 12.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.578 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.24 20.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.456 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 46.0 75.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.661 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -133.03 165.4 24.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.58 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.0 mt -144.57 130.6 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.492 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.538 ' CB ' ' HE1' ' A' ' 69' ' ' TRP . 16.8 mmtm -137.54 160.15 39.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.517 ' O ' ' CZ2' ' A' ' 69' ' ' TRP . 1.4 t -75.26 159.5 5.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.538 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.603 HG22 ' O ' ' B' ' 2' ' ' VAL . 2.1 p . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.112 0.482 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.65 161.58 14.45 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.498 2.132 . . . . 0.0 112.134 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -127.64 177.23 6.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.574 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -160.92 142.27 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.716 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -102.12 146.67 27.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.527 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.39 131.23 56.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.657 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -98.34 148.34 23.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.671 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 68' ' ' GLY . 59.0 t -138.97 129.1 32.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -97.09 123.41 40.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.539 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.17 108.07 24.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.488 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -104.08 157.13 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.544 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -157.69 95.47 1.43 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.332 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 p -130.56 123.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.661 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 23.8 m -135.48 144.35 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' B' ' 15' ' ' VAL . . . 78.79 154.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.87 -140.61 5.9 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -83.22 179.24 7.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.439 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -146.32 148.94 32.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.705 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.617 HG11 HG21 ' B' ' 60' ' ' VAL . 24.5 t -137.72 131.89 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.9 m -98.41 122.84 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.522 HG12 ' N ' ' B' ' 23' ' ' LYS . 70.2 t -102.33 159.73 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.54 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.522 ' N ' HG12 ' B' ' 22' ' ' VAL . 29.8 tttp -122.32 128.49 51.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.641 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.565 HG23 HG12 ' B' ' 35' ' ' VAL . 8.6 mt -136.5 119.69 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.557 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -88.78 101.81 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.44 ' OE2' ' NH2' ' A' ' 5' ' ' ARG . 3.6 tt0 -106.89 129.64 54.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.468 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 61.3 p -85.87 175.01 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.422 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -61.49 -49.14 77.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -48.45 -29.88 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.48 28.71 6.6 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.59 147.97 24.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.734 0.302 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.573 ' O ' HG13 ' B' ' 32' ' ' VAL . 9.6 p -107.58 118.87 56.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.595 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.932 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -76.94 -94.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.331 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.932 ' H ' HG13 ' B' ' 33' ' ' VAL . 6.0 m -135.35 138.5 43.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.47 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.565 HG12 HG23 ' B' ' 24' ' ' ILE . 4.3 m -98.93 131.21 46.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.557 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.71 107.34 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.551 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.26 135.35 42.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.567 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -41.65 118.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -73.32 -22.81 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.626 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.466 ' CG ' ' N ' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -69.52 -61.06 1.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.866 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' B' ' 40' ' ' ASP . 6.2 pt-20 -59.42 -25.69 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.739 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 35.4 m -81.87 -16.17 51.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.67 -53.39 7.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.571 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.7 -41.81 98.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.546 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 mm -58.75 -26.33 31.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.402 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -77.11 -18.62 78.3 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -84.2 -33.01 24.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.947 0.403 . . . . 0.0 110.651 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -85.63 -20.91 28.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.656 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 66.3 p -98.14 -42.36 7.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.539 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.31 28.73 9.49 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 mt -125.53 132.43 24.31 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -40.46 157.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.678 1.585 . . . . 0.0 111.728 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -71.33 -54.39 0.16 Allowed 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.355 2.037 . . . . 0.0 112.068 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -49.28 -44.12 43.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.505 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -36.8 81.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.396 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 68.5 t -73.44 -34.63 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.599 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.3 tttm -61.8 -48.75 79.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.5 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.58 -29.32 70.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.566 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.523 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 10.3 tmm? -73.07 -63.47 1.17 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.643 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.617 HG21 HG11 ' B' ' 20' ' ' VAL . 9.1 p -59.57 -28.63 40.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.63 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' B' ' 62' ' ' ALA . 4.3 tm-20 -63.51 -61.59 2.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.505 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.47 ' N ' ' CD ' ' B' ' 61' ' ' GLU . . . -48.57 -27.36 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -67.12 -62.49 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.79 -24.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' B' ' 63' ' ' ALA . 7.5 tpp180 -73.69 -44.1 57.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.79 1.75 10.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.599 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 43.54 92.45 0.01 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.33 -175.11 33.02 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -103.85 159.23 15.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.678 0.275 . . . . 0.0 110.614 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.35 141.22 46.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.672 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -113.5 121.86 45.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.529 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 mp -88.03 -58.37 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.743 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -62.07 1.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.719 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' B' ' 72' ' ' LEU . 15.8 mm-40 -132.93 -18.66 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.559 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 55.83 61.55 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.495 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -139.85 157.5 45.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.736 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 mt -139.94 128.13 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -146.7 166.61 26.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.581 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.547 HG22 ' N ' ' B' ' 80' ' ' GLN . 3.4 p -137.45 160.74 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.547 ' N ' HG22 ' B' ' 79' ' ' VAL . 2.7 pt20 . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.484 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.613 0.244 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -51.71 118.71 4.7 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.56 2.173 . . . . 0.0 112.236 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -101.51 150.31 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.485 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -158.02 134.06 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.571 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.461 ' HE1' ' OD1' ' A' ' 8' ' ' ASP . 54.6 p90 -86.3 146.1 26.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.523 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -110.34 130.17 55.6 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.662 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' OD1' ' HE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -100.56 103.41 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.611 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.6 t -76.91 129.1 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.691 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -90.54 124.15 34.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.599 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.14 126.47 64.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.656 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 m -134.3 138.36 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.23 97.6 4.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 p -154.38 151.01 11.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.679 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.656 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -140.29 143.51 29.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.568 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 15' ' ' VAL . . . 77.74 158.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.62 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.87 -74.46 0.06 OUTLIER Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -138.11 145.0 41.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -138.87 130.23 27.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.67 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.517 HG22 ' N ' ' A' ' 21' ' ' SER . 6.1 p -98.23 158.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.517 ' N ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -94.45 130.53 40.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.7 t -142.97 133.39 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.868 ' NZ ' ' HB2' ' A' ' 25' ' ' ALA . 6.3 tmtm? -98.12 105.98 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.459 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 mt -111.9 120.07 61.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.66 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.868 ' HB2' ' NZ ' ' A' ' 23' ' ' LYS . . . -102.49 123.74 46.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.62 166.9 12.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.406 ' OG1' ' CG2' ' A' ' 33' ' ' VAL . 5.4 m -148.32 -50.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -95.62 17.01 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.435 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 53.9 16.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.465 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.01 -34.1 0.02 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -101.3 150.32 23.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.784 0.326 . . . . 0.0 110.538 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 32' ' ' VAL . 14.1 p -107.63 108.15 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.384 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.406 ' CG2' ' OG1' ' A' ' 27' ' ' THR . 74.2 t -53.7 -59.6 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.3 p -148.84 163.75 36.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.595 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.4 m -133.15 146.12 32.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.629 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 113.77 13.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.945 0.402 . . . . 0.0 110.463 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.2 147.67 26.36 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.594 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.09 124.47 32.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -73.49 -28.28 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.69 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.84 -64.49 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.01 -55.7 28.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.6 m -48.03 -41.57 25.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -65.47 -19.32 65.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.506 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -55.82 4.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.7 mp -46.97 -36.62 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.512 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.17 -26.62 72.53 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -76.44 -32.3 58.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.352 . . . . 0.0 110.549 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -83.94 -40.61 18.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.681 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.9 p -84.97 -46.05 11.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.541 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.96 29.16 6.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mt -110.78 131.8 21.93 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.571 ' O ' HG23 ' A' ' 56' ' ' VAL . 71.1 Cg_exo -40.75 157.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 C-N-CA 121.862 1.708 . . . . 0.0 111.731 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -72.04 -57.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.314 2.009 . . . . 0.0 111.98 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.02 -37.85 7.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.601 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -68.89 -39.94 79.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.615 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 52' ' ' PRO . 61.3 t -77.78 -26.35 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.634 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -66.5 -43.08 86.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.97 -24.66 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.519 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.621 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -76.64 -43.55 37.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.486 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.4 t -75.94 -33.27 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -72.66 -43.19 63.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.453 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.13 77.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.444 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.42 -49.81 76.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.25 -23.61 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.513 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -74.2 -47.51 35.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -97.03 1.51 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.669 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 51.37 97.88 0.01 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.3 -155.19 8.22 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.692 ' CZ3' ' HB2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -136.79 169.23 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.567 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.621 HG21 ' SD ' ' A' ' 59' ' ' MET . 46.3 t -133.15 157.28 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -141.96 113.08 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.583 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' GLU . 10.0 mp -75.51 -22.1 57.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.688 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -43.18 -20.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -168.95 28.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.539 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 42.16 87.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.658 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -140.03 161.83 36.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.1 mt -137.04 125.75 35.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.692 ' HB2' ' CZ3' ' A' ' 69' ' ' TRP . 55.5 mttt -141.65 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.646 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 79' ' ' VAL . 2.5 p -141.07 -9.16 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.534 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.654 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.561 ' O ' HG12 ' B' ' 2' ' ' VAL . 76.9 t . . . . . 0 N--CA 1.467 0.385 0 CA-C-O 120.695 0.283 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -52.0 157.27 6.22 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.562 2.175 . . . . 0.0 112.041 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 3.1 p -167.12 131.86 2.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.47 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -170.16 149.09 3.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -77.04 142.07 40.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.696 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -110.14 157.58 19.24 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.607 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.17 109.36 11.42 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -82.15 119.61 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.514 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.605 HH22 HG11 ' B' ' 12' ' ' VAL . 0.8 OUTLIER -72.43 126.1 29.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.682 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.19 88.59 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.573 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.605 HG11 HH22 ' B' ' 10' ' ' ARG . 4.4 m -101.24 153.04 4.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.54 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.71 95.04 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.629 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 t -96.49 154.28 3.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.511 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.36 124.55 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.05 176.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.657 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.8 -136.75 3.29 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.26 126.18 34.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.758 0.314 . . . . 0.0 110.598 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.95 127.72 48.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.681 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.69 HG11 HG11 ' B' ' 60' ' ' VAL . 43.0 t -102.68 132.87 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.53 125.38 31.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.651 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 69.9 t -140.2 117.02 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.468 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.31 130.91 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.54 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.558 HG23 HG12 ' B' ' 35' ' ' VAL . 2.6 mt -137.03 132.26 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.726 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.06 99.09 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -100.32 147.78 25.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -99.83 -155.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.445 ' N ' ' OG1' ' B' ' 27' ' ' THR . 51.5 mt-10 -94.92 23.14 5.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.502 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -138.72 19.55 2.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.455 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.02 36.93 76.36 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -103.29 133.85 47.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.512 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.677 ' O ' HG13 ' B' ' 32' ' ' VAL . 7.2 p -107.64 89.15 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.481 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.66 HG13 ' N ' ' B' ' 34' ' ' THR . 7.3 p -49.02 -55.47 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.66 ' N ' HG13 ' B' ' 33' ' ' VAL . 1.4 m -151.15 163.6 38.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.595 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.558 HG12 HG23 ' B' ' 24' ' ' ILE . 18.1 m -134.08 149.97 30.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.499 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -132.64 85.02 2.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.625 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.43 114.43 9.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.431 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.439 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 0.4 OUTLIER -41.96 115.15 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.495 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -77.36 -10.13 59.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.633 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -71.73 -64.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.526 ' N ' ' OE2' ' B' ' 41' ' ' GLU . 1.6 mm-40 -60.4 -42.46 95.99 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.602 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 78.6 m -56.3 -38.75 71.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.547 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -56.17 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.409 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -47.14 -60.12 2.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.28 -20.25 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.51 -30.68 34.7 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.91 -36.99 84.91 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.847 0.356 . . . . 0.0 110.669 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.44 -25.27 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.689 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.744 HG22 HD21 ' B' ' 72' ' ' LEU . 71.9 p -85.06 -49.87 7.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.551 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.42 -23.52 33.94 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -85.72 156.74 58.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -39.35 157.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.243 0 C-N-CA 122.355 2.036 . . . . 0.0 111.833 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.94 -56.79 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.379 2.052 . . . . 0.0 112.005 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -43.86 -50.35 7.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.623 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -47.02 -37.1 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.646 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 72.6 t -78.38 -38.05 22.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.745 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -55.28 -47.64 75.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.603 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.37 76.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' B' ' 59' ' ' MET . 14.3 tmm? -70.26 -43.19 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.597 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.69 HG11 HG11 ' B' ' 20' ' ' VAL . 84.4 t -76.88 -31.5 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.677 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -72.7 -51.69 18.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.557 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.66 -37.07 65.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -57.88 -63.31 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.12 -25.26 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -47.45 74.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -2.39 9.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.662 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 50.69 101.56 0.01 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.34 -153.11 6.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.539 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -127.54 162.26 26.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 110.461 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.455 HG12 ' N ' ' B' ' 71' ' ' ASP . 54.6 t -138.34 156.7 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.699 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.477 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.5 OUTLIER -135.68 113.17 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.415 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.744 HD21 HG22 ' B' ' 49' ' ' THR . 2.6 mp -72.2 -53.72 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -72.4 43.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' B' ' 72' ' ' LEU . 1.5 tm-20 -175.57 -23.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 58.51 70.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.521 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -138.82 147.44 42.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.461 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -140.55 119.19 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -138.11 167.01 22.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.43 ' O ' ' NE1' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -86.96 -176.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.539 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.675 ' O ' HG23 ' A' ' 2' ' ' VAL . 34.0 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.63 0.252 . . . . 0.0 110.618 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.5 113.03 1.04 Allowed 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.74 2.294 . . . . 0.0 111.947 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 p -78.66 140.52 38.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.563 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -119.49 135.18 54.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.485 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -103.2 153.35 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -127.67 125.33 39.88 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.505 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -103.11 110.04 21.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.0 t -103.03 110.98 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -78.51 123.41 27.03 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.616 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -113.33 125.32 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.826 HG11 ' O ' ' B' ' 15' ' ' VAL . 15.3 m -133.26 168.34 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.559 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -155.71 95.28 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.438 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 15' ' ' VAL . 8.6 p -154.31 155.87 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.464 ' N ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -139.29 107.46 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.431 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.5 168.08 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.13 169.44 39.66 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -171.24 3.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.865 0.365 . . . . 0.0 110.522 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -150.51 150.92 31.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.633 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.78 143.42 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.508 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.6 m -95.92 140.42 30.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 36' ' ' LYS . 65.7 t -137.6 139.13 43.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -105.95 129.27 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.463 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.551 HD11 ' HB1' ' A' ' 64' ' ' ALA . 15.0 mt -139.01 121.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.551 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.44 139.38 35.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.669 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -133.38 163.74 28.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.557 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.48 ' C ' ' H ' ' A' ' 29' ' ' GLU . 71.0 p -133.9 -76.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.59 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' OG1' ' A' ' 27' ' ' THR . 30.3 mt-10 -69.4 9.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.616 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.1 mt-10 60.23 13.29 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.18 -31.91 0.19 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.98 139.52 38.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.727 0.299 . . . . 0.0 110.658 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.694 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.2 p -107.56 105.59 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.556 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.697 HG13 ' H ' ' A' ' 34' ' ' THR . 7.4 p -52.17 -58.46 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.998 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.697 ' H ' HG13 ' A' ' 33' ' ' VAL . 88.7 m -151.21 163.46 38.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.779 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.573 ' N ' HG22 ' A' ' 34' ' ' THR . 16.4 m -132.42 143.39 40.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.443 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.489 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -128.31 167.7 16.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.7 179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.95 116.04 4.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.475 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.71 105.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.585 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 1.027 ' CD1' ' NH1' ' A' ' 43' ' ' ARG . 45.5 p90 -73.88 -12.69 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.56 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.57 -64.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.556 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -58.44 -46.23 86.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.3 m -49.17 -37.92 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.675 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 1.027 ' NH1' ' CD1' ' A' ' 39' ' ' PHE . 6.4 mtm180 -73.2 -26.43 61.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.573 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 4.0 mm-40 -82.3 -30.8 30.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.7 mt -75.34 -21.24 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.22 -20.62 69.42 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.27 -19.84 45.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.835 0.35 . . . . 0.0 110.501 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 1.1 mp0 -79.3 -41.01 29.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.12 -43.16 9.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.54 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.31 33.42 6.54 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 pt -125.49 147.71 58.93 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -38.04 157.07 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.187 1.925 . . . . 0.0 112.118 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' VAL . 56.3 Cg_endo -72.59 -49.87 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.285 1.99 . . . . 0.0 112.063 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -43.73 -45.7 7.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.554 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.4 -27.39 67.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' PRO . 40.5 t -82.95 -37.4 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -58.85 -49.69 76.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.365 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.41 81.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.602 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' A' ' 59' ' ' MET . 2.9 tmm? -62.06 -46.32 89.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.443 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.8 t -69.2 -34.0 61.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -71.57 -58.88 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.23 -31.96 1.72 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.493 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -63.13 -63.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.572 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.551 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -43.53 -23.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.732 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.442 HH11 HG13 ' A' ' 66' ' ' VAL . 1.3 tmm_? -76.33 -45.71 31.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.479 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.442 HG13 HH11 ' A' ' 65' ' ' ARG . 0.1 OUTLIER -99.85 0.76 10.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.683 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 40.88 94.49 0.01 OUTLIER Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.87 -167.73 24.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.529 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 1.1 m0 -104.8 168.68 8.9 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.754 0.312 . . . . 0.0 110.543 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.0 t -147.1 136.64 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -102.21 115.88 31.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.535 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 74' ' ' GLU . 3.0 mp -63.74 -56.17 17.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.534 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -72.29 43.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.482 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -175.99 -17.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.36 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 47.22 64.96 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.504 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -136.02 153.43 51.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.486 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.2 mp -126.41 137.95 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.489 ' NZ ' ' CZ3' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -137.97 149.98 46.61 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.614 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.585 HG12 ' H ' ' A' ' 80' ' ' GLN . 2.7 t -60.27 -134.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.66 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.585 ' H ' HG12 ' A' ' 79' ' ' VAL . 40.3 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.52 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.625 HG22 ' O ' ' B' ' 2' ' ' VAL . 2.1 p . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -83.67 103.19 1.05 Allowed 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.681 2.254 . . . . 0.0 112.06 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -93.15 148.7 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.743 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -145.83 142.69 29.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -86.29 146.66 26.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -110.35 165.88 11.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.375 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -140.04 109.67 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.778 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 80.9 t -100.04 131.76 46.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.512 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -96.9 123.18 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.656 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.71 100.68 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 20.2 m -86.55 158.17 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.57 137.14 28.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.437 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.7 t -80.16 150.35 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.57 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.826 ' O ' HG11 ' A' ' 12' ' ' VAL . 7.7 p -140.12 137.53 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.43 169.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.461 ' HA3' HG12 ' A' ' 12' ' ' VAL . . . -163.99 -101.61 0.16 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.67 169.62 10.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.923 0.392 . . . . 0.0 110.51 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 -141.56 123.9 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.348 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.677 HG11 HG11 ' B' ' 60' ' ' VAL . 60.5 t -102.0 139.58 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.467 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 8.2 t -101.39 132.44 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.524 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 85.4 t -133.61 147.04 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.52 129.18 56.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.1 mt -135.08 132.47 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.35 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.87 128.68 46.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.498 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -133.26 149.5 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 67.4 p -96.09 -167.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.687 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -99.47 21.64 11.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -132.23 36.16 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.18 60.09 6.45 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -138.51 124.03 19.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.445 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.632 ' O ' HG13 ' B' ' 32' ' ' VAL . 13.1 p -107.59 115.28 48.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.6 HG12 ' N ' ' B' ' 34' ' ' THR . 87.8 t -60.3 -98.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.445 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.6 ' N ' HG12 ' B' ' 33' ' ' VAL . 8.1 m -139.1 139.82 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.733 0.302 . . . . 0.0 110.624 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.65 141.58 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.458 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 101.6 5.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.535 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.16 159.93 30.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -83.61 120.68 26.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.463 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.75 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 35.0 p90 -77.06 -15.61 59.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.75 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 23.8 m-20 -72.09 -54.83 8.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.629 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.49 ' OE2' HG22 ' B' ' 20' ' ' VAL . 1.4 pp20? -65.77 -31.24 72.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . 0.444 ' SG ' ' OE1' ' B' ' 41' ' ' GLU . 0.5 OUTLIER -74.91 -18.63 60.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.579 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -80.84 -34.14 34.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.425 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.07 -33.97 26.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.557 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.486 HG21 HG11 ' B' ' 56' ' ' VAL . 1.9 tp -64.79 -26.85 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.551 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -59.61 -38.77 94.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.63 -28.06 69.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' B' ' 48' ' ' GLU . 2.1 mm-40 -81.39 -29.76 33.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.644 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 59.3 p -85.07 -49.65 8.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.54 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.75 14.69 33.75 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.54 156.6 70.36 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -38.96 157.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.498 2.132 . . . . 0.0 112.007 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -71.71 -57.1 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.396 2.064 . . . . 0.0 112.208 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -44.01 -53.36 6.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.709 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -43.84 -38.37 3.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.486 HG11 HG21 ' B' ' 45' ' ' ILE . 56.0 t -76.79 -43.74 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -52.65 -48.01 66.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.555 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.79 81.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.528 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.3 tmm? -70.93 -44.68 65.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.642 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.677 HG11 HG11 ' B' ' 20' ' ' VAL . 73.1 t -74.3 -31.47 28.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.793 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -66.12 -54.94 19.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.368 . . . . 0.0 110.358 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.19 -34.68 61.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -59.44 -62.3 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.661 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.56 -30.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.636 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -42.15 92.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.57 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -102.78 -4.53 9.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.737 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 49.24 93.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.69 -173.41 34.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.88 176.76 5.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.648 0.261 . . . . 0.0 110.693 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.416 HG12 ' N ' ' B' ' 71' ' ' ASP . 21.8 t -145.15 156.06 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.844 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.3 OUTLIER -133.21 113.05 12.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.181 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.89 -31.69 70.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -47.15 -24.26 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.489 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.66 -4.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.478 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' B' ' 71' ' ' ASP . 18.8 ttt-85 54.76 77.12 0.22 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.64 145.91 30.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.534 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 44.4 mt -110.99 136.85 45.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.39 135.91 37.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.462 HG22 ' N ' ' B' ' 80' ' ' GLN . 3.4 p -49.43 156.3 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.423 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.462 ' N ' HG22 ' B' ' 79' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.516 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.612 0.244 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.15 130.56 5.58 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.788 2.326 . . . . 0.0 112.286 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 p -138.66 141.7 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.56 147.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.608 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -84.94 139.76 31.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.609 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -110.5 131.69 54.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.373 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -100.2 112.34 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.718 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.503 HG11 HG23 ' B' ' 60' ' ' VAL . 59.3 t -83.64 139.17 18.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.489 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.41 123.36 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.597 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -115.48 93.68 2.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.133 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 12' ' ' VAL . 28.3 m -78.55 101.71 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.845 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.14 97.67 7.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.398 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -151.46 151.48 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.771 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.618 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.3 p -140.35 113.23 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 166.92 143.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.707 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.19 167.39 37.48 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -61.92 -178.11 0.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.494 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -141.42 127.74 19.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.638 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 21' ' ' SER . 94.7 t -95.76 153.35 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.678 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 20' ' ' VAL . 1.1 m -110.45 108.98 19.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.622 HG12 ' N ' ' A' ' 23' ' ' LYS . 59.2 t -115.65 165.26 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.6 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.622 ' N ' HG12 ' A' ' 22' ' ' VAL . 7.1 ttpt -130.23 97.5 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 24' ' ' ILE . 7.1 mt -99.81 132.26 45.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.641 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.669 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -102.69 111.17 23.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 29' ' ' GLU . 1.0 OUTLIER -104.5 155.05 19.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.293 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -80.22 0.52 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.662 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.23 -64.87 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.676 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -174.53 -36.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.88 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.13 43.43 1.52 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -137.73 120.8 16.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.877 0.37 . . . . 0.0 110.358 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 t -108.68 126.83 65.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.986 HG13 ' H ' ' A' ' 34' ' ' THR . 2.2 p -88.66 -88.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.538 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.986 ' H ' HG13 ' A' ' 33' ' ' VAL . 28.8 p -126.53 130.55 50.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 0.0 110.545 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 m -100.91 142.49 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.463 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -132.73 116.01 16.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.598 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.1 130.67 48.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.8 124.9 17.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.623 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 33.0 p90 -78.07 -11.96 59.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.6 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -77.66 -56.22 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.66 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -60.75 -37.37 81.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.581 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.2 m -65.51 -37.94 88.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.676 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -77.64 -42.45 34.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.472 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -67.03 -24.11 65.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.631 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -80.4 -34.63 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.451 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.9 -18.81 57.83 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -78.04 -19.92 53.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.301 . . . . 0.0 110.508 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -89.09 -33.5 17.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.3 p -88.57 -50.17 6.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.502 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.94 33.91 6.43 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.691 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.53 155.34 72.18 Favored Pre-proline 0 CA--C 1.531 0.226 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -35.64 100.14 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.612 2.208 . . . . 0.0 112.427 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.8 -24.44 10.08 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.183 1.922 . . . . 0.0 112.012 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -61.72 -55.69 27.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.598 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -55.93 -46.15 78.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.1 t -43.99 -43.46 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.499 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -63.34 -51.06 67.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.95 -20.77 65.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.524 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 59' ' ' MET . 4.9 tmm? -84.64 -46.88 11.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.8 t -72.57 -25.88 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.548 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -71.51 -57.27 4.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.379 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.97 -38.01 34.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.482 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -61.73 -59.91 4.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.598 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.61 -23.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 63' ' ' ALA . 1.3 ttm-85 -73.88 -46.31 45.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.491 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -100.0 -0.72 10.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.469 -179.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.91 94.94 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.23 -147.14 4.51 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.431 ' CD1' ' OE2' ' B' ' 74' ' ' GLU . 0.0 OUTLIER -131.79 157.97 42.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.727 0.299 . . . . 0.0 110.476 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.556 HG22 HG23 ' A' ' 77' ' ' ILE . 86.7 t -136.57 139.7 44.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.691 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -114.78 113.1 23.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.408 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' C ' ' H ' ' A' ' 74' ' ' GLU . 5.3 mp -73.26 -48.47 34.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -75.03 27.42 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.6 mt-10 -156.37 -17.05 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 57.44 64.09 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.476 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -139.0 149.32 44.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.556 HG23 HG22 ' A' ' 70' ' ' VAL . 13.2 mt -136.72 85.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.451 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER -77.12 127.42 32.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.638 HG23 ' N ' ' A' ' 80' ' ' GLN . 6.8 m -59.37 -144.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.713 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.638 ' N ' HG23 ' A' ' 79' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.614 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.579 0.228 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.81 104.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.462 2.108 . . . . 0.0 112.223 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -172.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.625 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -172.63 147.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -101.67 142.26 33.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.534 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -117.55 128.08 54.61 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.505 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.64 112.93 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.4 126.99 44.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -98.91 123.43 43.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.475 ' O ' ' NE2' ' B' ' 13' ' ' GLN . 2.5 t -120.84 105.34 16.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.345 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 16' ' ' ALA . 3.6 m -96.49 130.18 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.604 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.494 ' N ' ' OE1' ' B' ' 13' ' ' GLN . 0.8 OUTLIER -129.72 96.5 4.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.606 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 p -154.53 155.57 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.63 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 8.8 p -140.31 111.43 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 164.87 153.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.631 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.76 -174.57 42.43 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -177.45 4.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -138.44 115.4 10.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -103.09 116.06 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.633 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.7 t -70.94 126.42 29.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.57 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -132.32 130.63 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -102.75 125.13 49.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.559 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mt -135.85 120.29 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.643 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.86 101.49 13.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -101.97 148.8 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.478 ' C ' ' H ' ' B' ' 29' ' ' GLU . 61.2 p -101.56 -83.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -75.25 26.3 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' B' ' 27' ' ' THR . 18.3 tp10 49.24 39.27 15.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.61 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.26 -38.55 0.02 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -101.79 136.52 41.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.816 0.341 . . . . 0.0 110.557 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.587 ' O ' HG13 ' B' ' 32' ' ' VAL . 4.6 p -107.39 89.13 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.619 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.644 HG23 ' N ' ' B' ' 34' ' ' THR . 30.4 m -41.94 -49.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.759 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.644 ' N ' HG23 ' B' ' 33' ' ' VAL . 88.4 m -151.08 162.51 40.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.684 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.572 ' N ' HG22 ' B' ' 34' ' ' THR . 0.8 OUTLIER -151.26 129.88 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.343 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -132.79 102.2 5.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.735 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' B' ' 39' ' ' PHE . . . -77.78 128.97 34.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -41.57 97.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.417 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.52 ' CG ' ' N ' ' B' ' 40' ' ' ASP . 30.0 p90 -58.75 -49.0 79.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.681 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.52 ' N ' ' CG ' ' B' ' 39' ' ' PHE . 0.0 OUTLIER -43.53 -64.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.543 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -54.29 -58.09 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -44.28 -42.79 6.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -73.88 -56.6 4.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -48.92 -26.62 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -83.69 -37.99 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.63 -31.91 5.4 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.06 -38.08 85.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 110.489 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -75.47 -19.15 59.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 46.4 p -91.55 -50.21 5.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.59 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.99 19.58 46.44 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.41 156.32 70.43 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -35.49 100.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.994 2.462 . . . . 0.0 112.327 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -47.85 -21.62 2.69 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.014 1.809 . . . . 0.0 112.054 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -67.68 -50.75 56.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.565 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -57.16 -29.89 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.445 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.05 -36.3 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.333 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -67.52 -53.56 27.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.461 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.03 -22.38 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.496 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.537 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.3 tmm? -76.46 -57.23 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.537 ' N ' ' SD ' ' B' ' 59' ' ' MET . 2.6 p -70.16 -6.21 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.672 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -83.32 -60.35 2.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.287 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.53 -37.85 58.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -64.47 -56.74 12.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.591 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.57 -26.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -45.26 43.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.592 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.409 HG23 ' H ' ' B' ' 66' ' ' VAL . 0.0 OUTLIER -97.5 1.72 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.558 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 46.68 96.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.13 -161.31 10.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -127.57 153.04 46.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.557 0.218 . . . . 0.0 110.556 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.4 t -128.42 151.67 35.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' B' ' 71' ' ' ASP . 0.0 OUTLIER -120.15 113.22 20.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.149 179.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.5 mp -77.6 -57.58 3.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.983 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -66.95 7.63 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.821 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.4 mm-40 -142.25 -4.27 1.03 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.797 0.332 . . . . 0.0 110.597 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' B' ' 71' ' ' ASP . 10.8 mmt180 42.35 82.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.669 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -150.93 150.78 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 22.7 mt -137.77 100.29 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.411 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -106.92 140.2 40.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.597 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.408 ' H ' HG23 ' B' ' 79' ' ' VAL . 0.2 OUTLIER -85.54 175.78 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.64 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 -179.921 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.372 0.129 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -83.57 105.91 1.26 Allowed 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.841 2.361 . . . . 0.0 112.106 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.6 m -63.27 -179.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.584 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -139.65 135.56 33.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.7 p90 -103.28 152.71 21.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -135.02 151.06 50.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.647 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.05 125.68 53.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.542 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -103.12 110.84 30.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.608 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' B' ' 70' ' ' VAL . 15.0 ttm180 -64.23 127.49 31.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.728 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.83 108.69 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.641 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 m -134.64 131.58 53.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.572 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.72 95.41 4.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.258 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 p -154.02 133.51 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.585 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 15' ' ' VAL . 14.9 p -135.99 114.33 15.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.491 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 165.21 -177.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.452 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.98 174.02 16.82 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.55 -177.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.502 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -138.64 132.54 31.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.614 HG13 ' CD ' ' A' ' 41' ' ' GLU . 84.0 t -102.26 153.77 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.556 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.413 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -99.83 117.25 33.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.629 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -135.62 156.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.647 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -137.52 128.29 27.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.572 ' CG2' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -136.25 148.26 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.548 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.597 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -121.01 119.07 31.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -103.5 145.24 30.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 29' ' ' GLU . 41.3 p -104.35 -177.89 3.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.461 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -79.15 26.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.621 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.6 tt0 -132.21 16.68 4.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.7 23.18 43.11 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -104.74 151.92 23.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 110.595 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.609 ' O ' HG13 ' A' ' 32' ' ' VAL . 13.7 p -107.56 118.37 55.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.899 HG13 ' H ' ' A' ' 34' ' ' THR . 2.6 p -68.67 -99.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.428 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.899 ' H ' HG13 ' A' ' 33' ' ' VAL . 29.3 p -119.81 135.04 55.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.769 0.319 . . . . 0.0 110.533 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.572 HG12 ' CG2' ' A' ' 24' ' ' ILE . 3.6 m -101.88 124.01 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.634 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -104.22 138.91 40.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.451 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.72 148.14 41.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.529 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -75.63 113.96 13.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.441 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -67.68 -16.47 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.03 -64.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.752 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.614 ' CD ' HG13 ' A' ' 20' ' ' VAL . 1.7 pp20? -56.82 -25.95 57.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.553 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 93.1 m -72.87 -44.78 60.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -73.45 -52.59 13.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -44.97 -59.72 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.56 -30.86 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.66 -19.92 7.12 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -85.53 -25.83 26.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.652 0.263 . . . . 0.0 110.499 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.24 -29.63 66.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.3 p -89.91 -50.23 6.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.13 29.23 8.1 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.223 -0.513 . . . . 0.0 111.882 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.61 155.81 71.69 Favored Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -35.16 99.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.721 2.281 . . . . 0.0 112.364 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -50.69 -12.63 0.6 Allowed 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.206 1.937 . . . . 0.0 112.05 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -71.44 -44.94 63.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.717 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -65.69 -47.06 76.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.023 0.44 . . . . 0.0 110.679 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.5 t -46.85 -50.5 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.616 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -53.12 -54.95 28.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -20.61 66.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -72.68 -43.36 63.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.612 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.8 t -63.0 -55.63 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -43.5 -55.52 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.35 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.59 -43.81 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.453 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -63.1 -58.05 8.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.475 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -46.17 -24.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.626 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 ttm-85 -72.06 -46.91 55.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.503 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.06 6.51 10.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.558 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.16 83.23 0.02 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.41 -164.25 11.31 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.474 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -116.96 167.88 10.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.334 . . . . 0.0 110.62 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -131.29 145.62 35.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.637 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.433 ' OD1' ' CZ2' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -134.76 112.97 11.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 74' ' ' GLU . 8.2 mp -72.32 -24.6 61.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.524 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.15 -9.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.527 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.3 mm-40 -175.08 18.19 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.625 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 43.65 84.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -139.15 131.38 28.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.359 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.78 132.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.586 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -163.34 153.93 16.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.7 p -54.15 147.2 2.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.608 179.855 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.528 0.116 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.01 110.13 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.516 2.144 . . . . 0.0 112.067 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.66 137.79 48.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.487 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -163.64 147.47 10.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.586 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -79.09 147.27 32.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.631 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -110.25 167.78 9.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.523 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.71 88.61 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.678 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.8 t -74.25 130.66 35.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.501 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.17 123.17 38.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.69 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 21.0 t -107.2 130.31 59.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.629 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -134.31 160.94 41.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.507 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.82 94.96 1.38 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.608 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.8 p -154.35 137.43 7.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.573 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 11.4 p -129.92 115.93 35.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.667 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 164.86 177.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.69 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.7 160.59 8.58 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.92 178.59 2.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.825 0.345 . . . . 0.0 110.452 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -150.86 131.66 14.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.556 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.93 151.11 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.433 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.8 t -101.31 113.13 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.655 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.477 HG12 ' N ' ' B' ' 23' ' ' LYS . 89.5 t -103.74 156.52 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.428 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.477 ' N ' HG12 ' B' ' 22' ' ' VAL . 9.8 tttm -124.41 122.14 36.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.493 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 6.0 mt -130.23 121.46 51.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.616 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.525 ' HB3' ' CG1' ' B' ' 33' ' ' VAL . . . -89.75 130.52 36.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.5 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -133.38 141.07 47.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 30.9 p -98.07 -177.44 3.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.758 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -82.42 20.87 1.01 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.366 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -119.13 2.19 11.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.469 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.31 18.79 79.45 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -99.34 135.02 41.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.406 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -107.62 125.91 63.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.952 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -73.02 -97.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.349 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.952 ' H ' HG13 ' B' ' 33' ' ' VAL . 2.0 t -138.33 147.82 43.94 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.656 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 p -94.28 142.16 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.608 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -132.77 94.18 3.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.331 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.06 125.33 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -47.68 98.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -56.1 -18.34 9.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.621 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -64.63 0.88 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.487 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -57.32 -38.18 73.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.676 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 22.1 m -57.03 -43.76 82.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.634 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -41.08 92.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.558 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -70.44 -26.37 63.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -77.38 -28.71 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.73 -22.43 33.14 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -77.99 -25.35 47.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -85.41 -29.67 24.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.507 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.423 HG22 ' CD2' ' B' ' 72' ' ' LEU . 59.8 p -90.0 -48.48 7.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.468 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.4 -26.38 24.4 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.4 156.22 85.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.31 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -38.82 157.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.402 2.068 . . . . 0.0 111.805 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -71.49 -58.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.391 0 C-N-CA 122.333 2.022 . . . . 0.0 112.123 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.96 -47.71 11.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -48.12 -28.45 2.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.573 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 t -81.45 -42.79 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -46.15 -54.84 7.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.56 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.23 -58.49 7.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.473 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.497 ' SD ' ' O ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -44.0 -40.33 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.581 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 34.1 t -73.41 -45.6 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.2 -44.15 97.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.458 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.64 -47.67 66.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.952 0.406 . . . . 0.0 110.355 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.471 ' HB1' ' HA2' ' B' ' 68' ' ' GLY . . . -55.35 -63.52 1.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.58 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.38 -20.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.71 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' B' ' 63' ' ' ALA . 17.0 ttp180 -77.96 -43.36 30.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.038 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.88 -9.35 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.5 -93.38 0.12 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.471 ' HA2' ' HB1' ' B' ' 63' ' ' ALA . . . 159.11 72.49 0.02 OUTLIER Glycine 0 CA--C 1.528 0.898 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.187 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.402 ' HB3' ' H ' ' B' ' 78' ' ' LYS . 1.3 t-105 -141.93 136.83 30.81 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.16 179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 10' ' ' ARG . 12.1 t -137.34 132.92 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.679 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -134.86 112.83 10.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.1 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.423 ' CD2' HG22 ' B' ' 49' ' ' THR . 5.7 mp -89.01 -18.17 27.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.685 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 pttm -49.16 -18.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.327 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -165.49 14.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.506 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 57.44 87.18 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -143.98 167.96 21.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.418 HD13 HG21 ' B' ' 77' ' ' ILE . 0.5 OUTLIER -136.0 134.2 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.493 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . 0.402 ' H ' ' HB3' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -139.81 174.85 10.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.878 0.371 . . . . 0.0 111.013 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.61 144.06 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.448 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.51 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.755 0.312 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -52.34 145.02 37.61 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.716 2.278 . . . . 0.0 112.144 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.97 114.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.516 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -168.41 155.94 7.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.47 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -76.82 138.67 39.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.483 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -110.22 128.84 55.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.468 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.53 116.34 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.687 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.9 t -84.41 140.92 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' NH2' ' HB2' ' B' ' 16' ' ' ALA . 3.1 mmm180 -87.91 123.25 32.47 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.729 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.98 127.17 27.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.187 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.691 HG22 ' HE1' ' B' ' 69' ' ' TRP . 1.4 m -129.79 168.41 22.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.446 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -124.13 130.64 52.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.18 118.86 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.584 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.1 t -135.79 143.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.482 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.07 162.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.79 -104.75 0.2 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.19 160.21 24.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.714 0.292 . . . . 0.0 110.599 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -140.15 123.8 17.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.668 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.589 HG13 ' CD ' ' A' ' 41' ' ' GLU . 69.3 t -100.87 147.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.491 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.09 133.12 40.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.679 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t -137.68 130.51 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.599 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -104.02 126.41 51.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.53 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.47 138.74 51.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.404 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.59 100.98 12.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.605 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -103.35 134.86 46.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.473 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -90.32 179.87 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.52 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.95 10.5 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -111.46 -14.22 13.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.637 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.72 22.69 32.89 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -103.79 155.69 18.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.754 0.312 . . . . 0.0 110.471 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.702 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.2 p -119.7 94.69 3.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.683 HG23 ' N ' ' A' ' 34' ' ' THR . 35.5 m -50.79 -57.1 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.792 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.683 ' N ' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -151.12 163.49 38.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.809 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 m -128.44 138.15 55.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -132.8 126.4 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.16 125.81 51.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -44.19 111.13 0.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.538 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.86 ' HD1' ' HD2' ' A' ' 43' ' ' ARG . 39.9 p90 -73.32 -18.49 61.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.513 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.73 -64.26 0.92 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.752 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.589 ' CD ' HG13 ' A' ' 20' ' ' VAL . 3.1 pp20? -58.47 -31.73 68.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.653 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.445 ' SG ' ' OE2' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -77.37 -18.98 56.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.604 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.86 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 3.2 mtt180 -81.91 -33.05 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.16 -26.14 33.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.454 ' O ' HG23 ' A' ' 49' ' ' THR . 1.0 OUTLIER -82.98 -21.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.537 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.42 51.08 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -52.09 15.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.805 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -61.88 -9.14 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 45' ' ' ILE . 26.6 p -101.42 -37.75 8.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -26.64 23.52 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -97.11 154.11 38.26 Favored Pre-proline 0 C--N 1.331 -0.207 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.346 179.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -58.56 164.06 9.81 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.379 2.053 . . . . 0.0 112.012 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -68.18 -46.76 2.01 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.618 2.212 . . . . 0.0 112.154 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -48.01 -34.89 10.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.569 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.64 -51.27 17.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.59 -38.66 78.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.709 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -58.0 -44.92 87.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.652 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.53 -24.35 64.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.423 ' C ' ' SD ' ' A' ' 59' ' ' MET . 10.8 tmm? -78.19 -54.31 6.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.619 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 p -69.66 -21.75 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.768 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.6 tm-20 -66.51 -62.03 1.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.539 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -54.21 -31.01 51.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -62.45 -63.4 1.24 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.788 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.7 -29.15 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -43.15 75.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -101.59 -1.55 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.776 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.69 94.81 0.01 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.7 -147.39 4.79 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.588 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -124.26 162.82 22.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.795 0.331 . . . . 0.0 110.369 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.2 t -144.77 133.9 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.661 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ARG . 9.3 m-20 -103.83 112.69 25.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.319 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' A' ' 74' ' ' GLU . 1.9 tp -69.18 -29.9 68.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.354 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 10.81 0.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.635 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -166.23 1.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.58 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' ASP . 4.1 ttt-85 41.44 55.02 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.522 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -113.83 148.38 36.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.6 mp -122.82 115.45 45.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -142.6 142.93 32.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.687 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 80' ' ' GLN . 9.7 p -94.53 155.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.641 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.453 ' N ' HG22 ' A' ' 79' ' ' VAL . 55.0 mt-30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.441 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.3 t . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.716 0.293 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -51.87 102.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.687 2.258 . . . . 0.0 112.074 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -166.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.672 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.85 125.55 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.888 0.375 . . . . 0.0 110.483 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -87.74 152.03 22.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.45 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -136.39 140.91 43.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.426 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -109.88 85.27 2.07 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.529 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.95 133.75 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.746 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -96.35 124.42 40.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.651 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -122.05 105.16 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.409 ' O ' HG23 ' B' ' 12' ' ' VAL . 3.2 m -94.76 134.14 33.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.739 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.64 95.1 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.207 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -137.62 149.38 25.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.693 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.446 HG13 ' O ' ' B' ' 15' ' ' VAL . 14.6 p -119.82 129.52 75.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.135 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.689 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.478 ' HB2' ' NH2' ' A' ' 10' ' ' ARG . . . 51.71 -176.97 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.621 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.7 -82.32 0.08 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -89.52 166.26 13.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.346 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -149.37 111.8 4.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.62 HG11 HG21 ' B' ' 60' ' ' VAL . 7.1 p -106.84 154.86 7.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.45 ' N ' HG22 ' B' ' 20' ' ' VAL . 0.3 OUTLIER -101.99 140.56 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.685 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.1 t -142.68 118.56 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -83.85 126.47 32.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.457 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.632 HD11 ' HB1' ' B' ' 64' ' ' ALA . 2.0 mt -137.96 129.26 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.629 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.545 ' HB3' ' CG1' ' B' ' 33' ' ' VAL . . . -101.66 139.84 36.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.546 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -133.57 154.65 50.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.656 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 44.7 p -128.72 -72.68 0.6 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.573 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.478 ' N ' ' OG1' ' B' ' 27' ' ' THR . 1.9 mt-10 -78.32 20.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 52.17 12.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' B' ' 28' ' ' GLU . . . -137.8 -34.58 0.19 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -101.55 130.3 47.81 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.542 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.434 ' O ' HG13 ' B' ' 32' ' ' VAL . 10.2 p -107.55 129.53 61.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.719 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.928 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -65.73 -94.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.928 ' H ' HG13 ' B' ' 33' ' ' VAL . 4.2 t -135.65 137.63 42.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.359 . . . . 0.0 110.461 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.43 143.43 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.629 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -132.51 102.15 5.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.54 150.5 38.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.656 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -72.55 119.66 17.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.544 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.795 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 32.8 p90 -78.15 -13.44 59.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.795 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 53.6 m-20 -77.63 -64.45 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 29.4 mt-10 -56.49 -34.19 66.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 99.1 m -69.59 -38.44 77.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.621 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -69.38 -48.89 59.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.62 -61.44 2.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.541 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.08 -20.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.618 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.11 -18.74 79.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -86.45 -54.54 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 110.774 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.61 -10.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.687 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 28.9 p -110.05 -44.57 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.62 30.13 5.67 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -125.74 156.42 71.12 Favored Pre-proline 0 C--N 1.332 -0.189 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.92 161.87 43.91 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.333 2.022 . . . . 0.0 111.942 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.97 -48.31 0.38 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.583 2.189 . . . . 0.0 112.181 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -44.04 -49.68 8.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.718 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -52.02 -35.61 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.457 ' O ' HG12 ' B' ' 60' ' ' VAL . 12.1 t -83.37 -47.39 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -45.89 -43.62 13.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.54 -62.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.994 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.426 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.4 tmm? -45.63 -44.0 12.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.62 HG21 HG11 ' B' ' 20' ' ' VAL . 1.2 p -72.93 -28.38 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -69.97 -62.08 1.53 Allowed 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.367 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.11 -31.68 8.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.281 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -69.58 -30.87 68.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.7 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.632 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -71.31 -20.56 62.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.626 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . 0.541 HH22 HG21 ' B' ' 24' ' ' ILE . 1.9 mmp_? -81.41 -40.27 23.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -18.58 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 51.88 91.22 0.01 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.78 -123.79 2.0 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.691 ' HE1' HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -153.24 140.52 19.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.61 0.243 . . . . 0.0 110.446 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.628 ' N ' ' CD1' ' B' ' 69' ' ' TRP . 47.9 t -130.53 157.78 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.497 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.5 OUTLIER -112.63 128.48 56.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.963 179.393 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' B' ' 74' ' ' GLU . 6.8 mt -84.08 -50.66 7.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.939 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.44 16.6 0.46 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.0 mm-40 -148.51 -10.29 0.36 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.554 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 12.1 mtm-85 41.18 60.17 2.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.67 139.45 47.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.0 mt -103.43 126.8 57.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -139.12 179.27 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.706 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 45.7 t -127.93 142.89 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.587 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.657 ' O ' HG13 ' A' ' 2' ' ' VAL . 7.4 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.648 0.261 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.94 99.92 0.93 Allowed 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.662 2.242 . . . . 0.0 112.27 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.12 134.82 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.588 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -151.6 147.54 26.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -82.49 136.62 34.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.459 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -110.29 131.09 55.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.458 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.05 105.47 17.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.662 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.1 t -84.87 129.02 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.543 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -83.0 132.83 35.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.746 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t -124.98 100.45 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.337 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.718 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.6 m -99.56 96.2 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.527 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.673 ' OE1' HD22 ' B' ' 72' ' ' LEU . 1.0 OUTLIER -101.09 95.05 6.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.559 179.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 14' ' ' VAL . 9.0 p -154.53 129.08 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.664 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 7.4 p -137.21 107.79 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.496 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 163.4 151.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.581 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.48 -164.28 32.23 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -71.45 -177.2 1.74 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 0.0 110.559 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -138.0 120.05 15.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.532 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.515 HG22 ' OE2' ' A' ' 41' ' ' GLU . 59.3 t -104.03 139.48 24.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -101.44 109.12 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.22 159.74 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.578 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -137.6 115.57 11.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.482 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.4 mt -131.42 139.3 51.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.568 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.14 137.46 41.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.41 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -133.42 147.15 51.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.56 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.6 p -105.51 -60.32 1.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.596 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' C ' ' H ' ' A' ' 30' ' ' GLY . 4.3 tt0 -98.89 15.47 25.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.752 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 60.58 2.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -110.96 -45.65 0.87 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -99.89 161.01 13.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.863 0.363 . . . . 0.0 110.591 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.705 ' O ' HG13 ' A' ' 32' ' ' VAL . 11.2 p -126.83 105.47 14.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.433 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.713 HG13 ' H ' ' A' ' 34' ' ' THR . 7.5 p -52.82 -59.08 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.814 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.713 ' H ' HG13 ' A' ' 33' ' ' VAL . 2.7 p -148.13 163.49 36.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.627 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.8 m -129.14 138.26 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.446 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -132.35 163.71 28.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.561 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.1 155.69 38.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.28 114.82 11.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.463 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -74.75 -14.3 60.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.36 -64.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.545 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.515 ' OE2' HG22 ' A' ' 20' ' ' VAL . 1.7 pp20? -54.24 -33.43 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.57 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -47.27 76.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -70.45 -41.18 73.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.649 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.04 -42.66 85.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.65 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 44.7 mt -83.48 -20.01 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -53.39 -18.7 7.48 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -83.55 -32.2 25.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.572 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 10.3 tt0 -71.15 -28.89 64.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.551 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.5 p -84.79 -49.83 8.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.98 -18.96 51.08 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.58 156.87 56.0 Favored Pre-proline 0 C--N 1.331 -0.234 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.398 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -38.43 157.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 122.426 2.084 . . . . 0.0 111.71 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.79 -59.44 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 122.343 2.029 . . . . 0.0 112.162 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -49.13 -41.94 37.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.524 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -48.64 -33.75 10.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.54 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 60' ' ' VAL . 18.3 t -79.33 -36.69 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.618 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -58.27 -54.7 44.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.47 83.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.482 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.442 ' SD ' HG21 ' A' ' 70' ' ' VAL . 12.0 tmm? -64.14 -36.97 85.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.697 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 56' ' ' VAL . 41.8 t -67.71 -63.82 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -43.64 -38.68 3.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.364 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.6 -47.28 79.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.689 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -56.69 -51.43 68.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.539 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.92 -30.23 4.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -46.87 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.51 5.72 9.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.11 75.47 0.12 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.52 -154.07 6.35 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -124.97 176.61 6.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.667 0.27 . . . . 0.0 110.646 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.442 HG21 ' SD ' ' A' ' 59' ' ' MET . 10.0 t -135.32 132.77 52.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.71 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.27 113.04 25.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.589 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 74' ' ' GLU . 4.2 mp -76.02 -33.99 59.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.589 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -42.82 -20.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' LEU . 2.9 tp10 -158.19 19.98 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 42.57 89.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.637 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -145.84 164.58 31.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 mt -138.75 123.41 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.651 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.24 157.85 45.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.55 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.14 139.84 18.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.673 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.538 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.451 HG22 ' O ' ' B' ' 2' ' ' VAL . 1.7 p . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 111.236 0.087 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.0 96.47 0.74 Allowed 'Trans proline' 0 N--CA 1.487 1.092 0 C-N-CA 122.221 1.947 . . . . 0.0 112.198 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.22 147.34 48.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.467 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -137.6 150.65 47.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -100.37 149.07 24.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.3 -179.98 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.506 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -148.94 87.76 1.57 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.493 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.567 HG12 ' N ' ' B' ' 10' ' ' ARG . 73.7 t -83.68 161.72 3.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.567 ' N ' HG12 ' B' ' 9' ' ' VAL . 3.3 tpp180 -128.01 123.36 34.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.505 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -105.93 101.78 12.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.412 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 16' ' ' ALA . 5.8 m -93.07 139.59 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -145.69 95.12 2.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.592 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -154.41 155.91 5.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.574 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.617 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 8.5 p -131.48 123.55 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.564 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.617 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 165.7 160.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.517 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.7 165.89 26.85 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -94.18 -168.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.717 0.294 . . . . 0.0 110.648 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -145.98 124.25 12.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.75 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -107.74 119.4 57.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.435 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.7 t -78.38 138.62 38.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.633 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 64.0 t -133.52 122.11 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.475 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -81.84 104.55 12.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.647 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.403 HD11 ' HB1' ' B' ' 64' ' ' ALA . 44.1 mt -107.01 148.4 11.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.414 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.86 119.8 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.641 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -103.02 152.92 20.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.387 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -133.47 -44.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.691 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -101.17 8.87 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 53.4 60.38 3.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 169.96 -13.18 0.05 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -139.46 154.9 47.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.686 0.279 . . . . 0.0 110.575 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.507 HG11 ' HG3' ' B' ' 65' ' ' ARG . 2.0 p -107.56 94.77 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.482 ' H ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -43.39 -51.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.187 0.518 . . . . 0.0 110.703 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.09 163.59 38.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.53 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 p -151.22 143.2 16.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.524 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -132.8 99.61 4.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.559 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.79 138.49 39.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.637 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.48 118.1 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 1.11 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 33.2 p90 -74.75 -30.46 61.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.622 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 1.11 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 25.7 m-20 -66.84 -64.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.501 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -50.83 -31.7 17.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.47 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 52.0 m -74.79 -38.21 62.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.602 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 49.2 mtt180 -79.05 -55.83 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.469 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.92 -52.33 5.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.449 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.64 ' O ' HG23 ' B' ' 49' ' ' THR . 77.8 mt -74.79 -35.54 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.372 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.51 -22.85 8.42 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -77.55 -54.15 6.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.981 0.419 . . . . 0.0 110.512 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -62.37 -21.72 65.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.614 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.64 HG23 ' O ' ' B' ' 45' ' ' ILE . 68.5 p -84.63 -39.07 19.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.612 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.36 33.6 31.41 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 mt -125.4 132.6 24.35 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' B' ' 54' ' ' ARG . 90.2 Cg_exo -37.99 102.46 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 122.225 1.95 . . . . 0.0 112.207 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -46.73 -10.76 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.165 1.91 . . . . 0.0 112.137 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' B' ' 52' ' ' PRO . 40.3 ttt85 -69.38 -54.9 12.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.227 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -66.54 -39.56 88.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -50.23 -41.97 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -64.09 -45.94 86.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.85 -21.48 64.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.674 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.583 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.8 tmm? -76.22 -58.83 3.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.515 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.583 ' N ' ' SD ' ' B' ' 59' ' ' MET . 2.2 p -66.09 -11.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.602 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -82.03 -56.48 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.349 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.09 -37.56 21.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -63.21 -58.15 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.553 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.403 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -43.53 -24.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.498 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . 0.507 ' HG3' HG11 ' B' ' 32' ' ' VAL . 3.6 ttp180 -75.79 -45.32 36.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.671 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -101.54 6.93 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.584 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 48.6 100.52 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.1 176.24 40.11 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.511 ' CD2' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -101.02 173.86 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.87 0.367 . . . . 0.0 110.676 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.553 HG12 ' N ' ' B' ' 71' ' ' ASP . 49.3 t -135.67 162.44 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.57 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.553 ' N ' HG12 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -150.85 112.96 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.673 HD22 ' OE1' ' A' ' 13' ' ' GLN . 5.7 mp -79.46 -20.08 48.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.87 -32.0 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.386 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.39 30.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.476 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 47.78 83.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.655 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -140.03 159.46 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 10.2 mt -143.72 107.78 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.501 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -84.77 117.74 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.492 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.667 HG12 ' H ' ' B' ' 80' ' ' GLN . 2.4 t -69.92 -139.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.667 ' H ' HG12 ' B' ' 79' ' ' VAL . 12.8 mm-40 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.514 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 t . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.655 0.264 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.78 138.61 50.43 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.537 2.158 . . . . 0.0 111.996 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.67 139.57 7.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.591 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -169.54 147.96 3.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.658 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -77.2 136.95 38.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.398 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -110.39 154.43 23.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.291 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.519 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -126.67 87.47 2.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.534 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.2 t -78.31 110.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.525 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -91.59 123.45 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.646 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -104.16 111.0 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.337 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.648 ' O ' HG23 ' A' ' 12' ' ' VAL . 19.5 m -100.18 113.45 35.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.644 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.09 98.82 6.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 p -154.67 152.51 9.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.577 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.662 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -140.61 119.68 11.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.595 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 163.4 154.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.612 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.23 -174.26 44.36 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -168.18 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.617 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -139.37 119.51 13.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.541 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.514 HG13 ' CD ' ' A' ' 41' ' ' GLU . 97.1 t -101.65 154.62 4.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.625 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.426 ' N ' HG12 ' A' ' 20' ' ' VAL . 13.3 t -113.92 136.92 52.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 36' ' ' LYS . 67.0 t -138.59 153.56 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' N ' HG12 ' A' ' 22' ' ' VAL . 5.8 ttpt -126.76 103.61 7.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.703 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 24' ' ' ILE . 11.0 mt -101.73 123.27 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.381 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.15 119.16 36.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -107.02 150.87 26.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.476 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.484 ' C ' ' H ' ' A' ' 29' ' ' GLU . 4.3 p -114.53 -102.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.494 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -74.14 19.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.5 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 27' ' ' THR . 14.5 tt0 60.59 44.11 11.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -138.0 -46.67 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -139.39 155.18 47.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 0.0 110.562 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -107.39 114.72 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 t -45.46 -43.66 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.266 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.472 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 92.8 m -151.28 150.14 30.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.707 0.289 . . . . 0.0 110.986 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.18 109.95 27.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.463 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.576 ' O ' HG13 ' A' ' 22' ' ' VAL . 2.1 mptt -82.9 170.36 15.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.751 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.44 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -156.28 20.82 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.521 ' N ' ' OE1' ' A' ' 38' ' ' GLU . 0.3 OUTLIER 47.04 96.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.451 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -68.94 -15.5 63.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -75.93 -63.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.514 ' CD ' HG13 ' A' ' 20' ' ' VAL . 1.3 pp20? -56.46 -25.53 51.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.485 ' SG ' ' OE1' ' A' ' 41' ' ' GLU . 94.1 m -74.57 -37.74 62.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.57 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -74.5 -30.2 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -75.54 -39.73 57.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.621 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -69.33 -30.42 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -49.34 -24.07 4.84 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.61 -28.7 67.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -81.43 -32.23 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.853 HG22 HD21 ' A' ' 72' ' ' LEU . 20.0 p -85.48 -50.01 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.544 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.89 -26.13 25.78 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -79.9 156.4 74.82 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.335 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -40.06 158.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 122.216 1.944 . . . . 0.0 111.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.57 -51.94 0.15 Allowed 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.277 1.985 . . . . 0.0 112.183 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.09 -38.48 3.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.599 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -55.31 -52.58 62.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.706 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.8 t -65.22 -48.17 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.717 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -45.92 -54.79 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.727 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.67 -20.13 66.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -59.9 2.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.722 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.487 HG11 HG11 ' A' ' 20' ' ' VAL . 67.0 t -65.93 -15.25 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.799 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -75.0 -63.34 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.52 -47.02 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.63 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -54.51 -59.79 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.827 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.62 -23.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.526 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 63' ' ' ALA . 0.8 OUTLIER -75.47 -41.8 54.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.521 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.1 OUTLIER -110.5 11.4 8.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.701 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 41.16 94.1 0.01 OUTLIER Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.16 -167.83 11.74 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.6 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 2.1 m95 -109.12 144.84 36.64 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -107.79 142.64 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -132.86 117.49 17.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.075 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.853 HD21 HG22 ' A' ' 49' ' ' THR . 1.8 mp -84.4 -57.81 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.004 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' B' ' 14' ' ' VAL . 14.5 mmtt -66.44 6.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.2 mt-10 -138.48 -10.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.584 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 41.65 56.18 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.477 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 77' ' ' ILE . 16.3 tp10 -140.58 148.13 40.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.503 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.496 ' H ' ' CD ' ' A' ' 76' ' ' GLU . 4.6 mt -118.36 102.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.516 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -68.48 124.41 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.609 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 80' ' ' GLN . 11.3 p -75.01 154.73 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.393 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.439 ' N ' HG22 ' A' ' 79' ' ' VAL . 20.6 tt0 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.4 ' O ' HG12 ' B' ' 2' ' ' VAL . 93.8 t . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.588 0.233 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.34 102.25 1.03 Allowed 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.675 2.25 . . . . 0.0 112.205 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.0 m -79.11 167.83 20.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.544 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -141.16 147.08 37.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.457 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -95.04 141.3 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.608 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.0 -179.37 3.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.501 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.12 111.89 3.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.485 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 44.1 t -101.09 150.12 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.531 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -107.89 123.39 48.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.544 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 72.3 t -106.19 99.5 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.3 m -103.45 134.71 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.652 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.46 95.08 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.094 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 73' ' ' LYS . 9.3 p -93.4 140.09 17.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.729 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -133.14 136.11 55.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.81 169.19 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.463 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.68 -140.92 3.73 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.89 -171.49 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.707 0.289 . . . . 0.0 110.574 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -148.65 140.76 23.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 99.2 t -130.19 148.79 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.592 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.2 t -103.14 127.3 50.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.479 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.31 146.84 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.651 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -122.35 116.21 23.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.494 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 16.1 tt -136.68 139.83 44.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.378 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.26 152.07 37.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.725 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -104.28 165.23 11.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.318 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.494 ' C ' ' H ' ' B' ' 29' ' ' GLU . 71.7 p -122.92 -74.42 0.62 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.445 ' N ' ' OG1' ' B' ' 27' ' ' THR . 9.2 mt-10 -73.92 21.52 0.09 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.662 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' B' ' 27' ' ' THR . 2.5 tt0 49.62 19.2 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.681 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.59 -53.02 0.07 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.423 ' OE2' ' OE2' ' B' ' 28' ' ' GLU . 17.3 pt-20 -110.99 133.37 53.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 110.396 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.3 p -109.82 105.02 18.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.565 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.677 HG22 ' O ' ' B' ' 33' ' ' VAL . 9.7 p -122.15 50.64 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.426 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 49.3 p -150.41 90.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.597 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.435 ' O ' HG13 ' B' ' 35' ' ' VAL . 15.0 p -138.32 129.88 37.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.7 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -132.6 92.55 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.708 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.75 153.85 32.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.581 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.38 116.89 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.486 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -72.72 -12.41 61.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.693 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -77.68 -64.29 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.678 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -52.35 -36.26 53.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 m -63.07 -50.34 70.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.578 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -70.42 -52.68 20.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.99 -44.24 4.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.448 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -84.07 -26.27 7.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.83 -27.91 14.76 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.18 -36.55 64.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.843 0.354 . . . . 0.0 110.598 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.02 -11.06 60.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.607 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.3 p -96.76 -50.15 4.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.637 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.81 17.55 51.3 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.5 156.19 70.86 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -34.78 99.3 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.947 2.431 . . . . 0.0 112.398 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -48.07 -16.14 0.54 Allowed 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.196 1.931 . . . . 0.0 112.089 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 ttm180 -72.62 -50.08 27.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.467 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.45 -21.17 59.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.49 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 t -77.82 -36.59 22.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.608 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -61.83 -55.06 33.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.586 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.57 -36.66 79.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -55.82 -41.07 73.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 5.5 t -67.0 -57.92 8.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -43.38 -57.9 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.414 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.0 -44.84 7.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.982 0.42 . . . . 0.0 110.391 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -60.48 -61.91 2.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.506 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.55 -20.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.673 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.0 OUTLIER -75.54 -47.47 26.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.701 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -108.13 6.55 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.741 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 40.49 93.62 0.01 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.13 -168.97 17.01 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.737 ' O ' HG23 ' B' ' 77' ' ' ILE . 2.5 m95 -108.65 150.1 28.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.705 0.288 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 44.4 t -128.24 134.9 64.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.728 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -114.92 130.08 56.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.221 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.442 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -93.0 -59.53 2.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -69.92 8.49 0.71 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' B' ' 72' ' ' LEU . 1.9 mt-10 -139.04 -11.56 1.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.588 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mtt-85 44.61 66.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.413 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 74' ' ' GLU . 0.5 OUTLIER -146.92 150.94 36.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.638 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.737 HG23 ' O ' ' B' ' 69' ' ' TRP . 14.3 mt -140.23 134.28 35.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.579 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 158.22 39.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.558 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 16.7 t -85.49 149.46 4.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.798 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 2' ' ' VAL . 2.1 p . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.051 0.453 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 4' ' ' SER . 71.6 Cg_endo -83.62 96.02 0.77 Allowed 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.781 2.321 . . . . 0.0 112.134 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER -42.69 166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.599 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -143.48 130.73 20.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -99.9 143.63 29.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.768 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.79 125.37 53.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.38 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -91.44 96.28 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 t -68.89 143.7 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.459 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -107.12 133.2 52.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 t -129.16 100.83 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.404 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.71 HG12 ' O ' ' B' ' 16' ' ' ALA . 14.5 m -101.19 115.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.806 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.71 96.4 5.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.017 0.437 . . . . 0.0 110.276 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 m -152.3 148.6 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.743 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.568 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -140.14 106.77 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.656 ' O ' HG12 ' B' ' 12' ' ' VAL . . . 169.83 164.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.536 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.704 ' H ' ' NH1' ' B' ' 10' ' ' ARG . . . 162.11 -149.0 16.87 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.519 ' O ' ' NH2' ' B' ' 10' ' ' ARG . 0.0 OUTLIER -88.23 -174.57 4.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.669 0.271 . . . . 0.0 110.571 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -145.72 150.77 36.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.69 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.0 t -135.48 147.79 28.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.488 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -101.27 134.83 43.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.577 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 36' ' ' LYS . 21.0 t -142.94 139.59 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -106.62 123.71 48.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.462 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.1 mp -127.69 126.94 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.505 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.67 117.4 33.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.52 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' O ' HG23 ' B' ' 2' ' ' VAL . 2.1 tt0 -96.68 164.97 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.52 -62.4 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.57 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.462 ' C ' ' N ' ' A' ' 30' ' ' GLY . 4.5 tp10 -77.31 10.85 2.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.587 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 48.11 13.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 28' ' ' GLU . . . -143.12 -18.07 0.25 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -139.35 151.02 46.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.757 0.313 . . . . 0.0 110.554 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.6 p -107.54 116.83 51.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.663 HG13 ' N ' ' A' ' 34' ' ' THR . 7.1 p -49.83 -55.35 5.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.713 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.663 ' N ' HG13 ' A' ' 33' ' ' VAL . 28.4 m -151.29 150.5 30.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.769 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.6 m -123.88 125.24 70.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.602 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -101.06 172.9 6.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.27 130.89 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.36 104.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.642 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.939 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 33.9 p90 -59.21 -25.64 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.55 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -71.05 -64.13 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' N ' ' CG ' ' A' ' 40' ' ' ASP . 8.7 mm-40 -44.17 -35.29 2.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.598 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -76.88 -43.98 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.645 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.939 ' NH2' ' CE1' ' A' ' 39' ' ' PHE . 44.7 mtp180 -62.18 -56.73 15.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -53.28 -34.24 56.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.468 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -72.24 -30.86 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.3 -25.68 8.52 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -75.87 -28.29 58.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.8 0.334 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -80.83 -31.07 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.507 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.591 HG22 ' CD2' ' A' ' 72' ' ' LEU . 50.9 p -86.14 -49.81 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.743 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.77 -18.85 54.35 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.4 156.5 56.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -38.61 157.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.367 2.044 . . . . 0.0 111.851 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -71.51 -55.86 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.287 1.991 . . . . 0.0 112.03 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.76 -52.39 6.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -48.1 -33.27 7.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -81.09 -30.96 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.7 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -67.84 -54.84 15.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.5 73.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.582 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 59' ' ' MET . 9.3 tmm? -67.32 -50.91 58.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.1 t -71.83 -39.08 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.0 tm-20 -61.34 -58.71 7.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.509 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.436 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -44.98 -44.99 10.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.335 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.89 -59.4 5.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.575 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.36 -20.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' ALA . 5.3 ttt180 -77.61 -47.45 19.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.808 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.06 3.35 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.76 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 52.65 106.1 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.7 168.9 40.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.49 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -100.91 150.83 22.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.774 0.321 . . . . 0.0 110.487 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG22 HG12 ' A' ' 77' ' ' ILE . 97.6 t -118.81 150.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.502 ' OD1' ' NZ ' ' B' ' 73' ' ' LYS . 0.9 OUTLIER -126.49 116.95 21.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.202 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.591 ' CD2' HG22 ' A' ' 49' ' ' THR . 3.5 mp -82.7 -56.13 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -69.0 10.94 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.845 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 72' ' ' LEU . 6.5 mt-10 -143.35 -4.91 0.87 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.531 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.5 mtt-85 41.95 71.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.455 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -156.06 136.17 12.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.656 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.466 HG12 HG22 ' A' ' 70' ' ' VAL . 89.2 mt -126.33 103.1 10.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.391 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -97.67 147.05 24.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.509 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -101.78 -155.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 79' ' ' VAL . 17.2 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.632 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.738 ' O ' HG13 ' B' ' 2' ' ' VAL . 7.8 p . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 111.309 0.114 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -85.07 92.51 0.7 Allowed 'Trans proline' 0 C--N 1.317 -1.092 0 C-N-CA 122.287 1.991 . . . . 0.0 112.134 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.48 147.56 25.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -177.24 146.93 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -85.09 146.27 27.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.36 134.74 52.0 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -102.34 89.94 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.404 HG23 ' H ' ' B' ' 9' ' ' VAL . 0.2 OUTLIER -62.3 167.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.444 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.704 ' NH1' ' H ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER -136.84 123.2 20.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 4.6 t -111.29 106.25 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.673 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 16' ' ' ALA . 4.8 m -104.82 122.18 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.47 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.515 ' N ' ' OE1' ' B' ' 13' ' ' GLN . 2.5 mp0 -128.69 94.9 3.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.396 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.43 155.15 6.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.707 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 0.0 OUTLIER -140.39 113.8 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.436 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.71 ' O ' HG12 ' A' ' 12' ' ' VAL . . . 175.83 152.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.613 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.6 167.2 32.27 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . 0.511 ' CZ3' ' OE2' ' B' ' 48' ' ' GLU . 0.0 OUTLIER -65.72 -172.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.707 0.289 . . . . 0.0 110.572 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 54.4 mtm-85 -144.63 122.53 12.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.708 HG13 ' OE1' ' B' ' 41' ' ' GLU . 82.5 t -96.63 152.56 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.16 128.11 53.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.459 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 t -130.47 140.31 49.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.495 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -101.06 131.64 46.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 mt -139.2 124.13 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.543 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -95.56 119.26 33.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -133.49 126.28 30.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.4 p -90.58 -151.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.504 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -96.58 -30.81 13.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.531 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -42.81 -31.63 0.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.88 37.46 4.68 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -139.52 155.08 47.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.799 0.333 . . . . 0.0 110.555 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.42 ' O ' HG13 ' B' ' 32' ' ' VAL . 9.9 p -107.57 130.94 59.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.558 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.948 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -73.95 -97.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.431 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.948 ' H ' HG13 ' B' ' 33' ' ' VAL . 1.8 t -134.82 144.08 47.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.736 0.303 . . . . 0.0 110.469 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 m -98.49 140.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -132.81 104.62 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.98 169.07 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.729 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -91.52 123.67 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -75.76 -14.36 60.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.651 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' B' ' 41' ' ' GLU . 0.0 OUTLIER -77.17 -51.61 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.737 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.708 ' OE1' HG13 ' B' ' 20' ' ' VAL . 0.8 OUTLIER -67.28 -26.05 66.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.655 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.78 -32.26 61.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -40.62 64.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.72 -29.08 62.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.596 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -74.2 -29.15 24.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.469 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.09 -23.74 48.02 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -72.73 -29.33 63.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.605 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.511 ' OE2' ' CZ3' ' B' ' 18' ' ' TRP . 16.1 mt-10 -83.15 -28.26 29.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.586 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -85.83 -49.92 7.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.567 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.53 15.93 44.84 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.28 157.21 68.34 Favored Pre-proline 0 C--N 1.332 -0.152 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.419 ' O ' HG23 ' B' ' 56' ' ' VAL . 75.4 Cg_exo -38.74 157.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.385 0 C-N-CA 122.502 2.134 . . . . 0.0 111.773 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.31 -56.04 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.131 1.887 . . . . 0.0 112.098 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -44.33 -51.03 8.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.552 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -49.14 -31.0 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.652 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 52' ' ' PRO . 17.0 t -83.08 -48.98 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.644 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -49.34 -40.67 36.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.08 -50.85 44.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' B' ' 59' ' ' MET . 11.3 tmm? -58.25 -39.12 78.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.647 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.468 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 78.1 t -79.72 -41.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.34 -51.43 66.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.197 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.18 85.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.352 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -43.94 -63.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.584 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.72 37.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -59.41 -25.93 64.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.765 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.46 -6.22 6.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.645 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 41.07 90.67 0.01 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -147.11 -117.14 0.98 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.523 ' CZ3' ' OD2' ' B' ' 71' ' ' ASP . 2.9 p-90 -159.26 154.69 25.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.437 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.674 HG22 HG22 ' B' ' 77' ' ' ILE . 46.5 t -135.87 137.69 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.749 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.523 ' OD2' ' CZ3' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -116.31 112.68 21.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.926 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' B' ' 74' ' ' GLU . 1.0 OUTLIER -77.09 -6.87 54.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.479 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.502 ' NZ ' ' OD1' ' A' ' 71' ' ' ASP . 28.7 mtmt -41.98 -24.4 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 0.0 110.258 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' B' ' 72' ' ' LEU . 2.3 mm-40 -168.81 17.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.345 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 66.95 94.91 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.579 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -159.79 132.72 6.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.665 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.674 HG22 HG22 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -109.7 129.06 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.442 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -138.17 165.11 27.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.646 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 1.5 p -102.89 111.59 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.521 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 2' ' ' VAL . 2.1 p . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -52.13 101.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.577 2.185 . . . . 0.0 112.119 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -115.15 155.9 26.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -171.7 147.45 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -84.36 147.43 27.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -110.23 178.31 4.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -143.1 114.43 7.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.528 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -100.9 113.58 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.5 ttp85 -92.82 123.44 36.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.4 t -110.3 113.21 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.5 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 16' ' ' ALA . 8.7 m -105.82 162.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.423 ' CD ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -128.5 148.71 50.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.407 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' H ' ' HB2' ' B' ' 73' ' ' LYS . 63.5 t -80.19 141.76 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.575 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.9 t -140.21 143.31 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.672 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.22 169.7 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.73 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.52 -138.31 2.65 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -86.96 171.3 10.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 110.682 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.2 mtm-85 -143.47 128.82 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.663 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.5 t -100.83 139.01 23.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.61 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.87 108.94 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.488 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -106.4 144.0 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.466 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -97.43 135.56 39.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.568 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 mt -145.22 119.55 2.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.519 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.69 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -103.08 111.6 24.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.759 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -105.63 141.62 36.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.5 p -98.56 -157.8 0.63 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -96.42 -45.04 6.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -41.52 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 28' ' ' GLU . . . 103.15 -2.32 47.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -99.49 155.23 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.692 0.282 . . . . 0.0 110.38 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -107.54 130.67 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.565 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.98 HG13 ' H ' ' A' ' 34' ' ' THR . 2.4 p -59.86 -95.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.98 ' H ' HG13 ' A' ' 33' ' ' VAL . 32.6 m -137.76 148.73 45.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.907 0.384 . . . . 0.0 110.578 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 m -100.14 145.01 11.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.529 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -132.67 118.06 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.524 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.5 142.65 27.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.638 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -71.62 118.21 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.526 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.864 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 32.6 p90 -76.01 -30.9 58.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.529 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.864 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 39.9 m-20 -51.99 -64.72 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.4 -49.32 77.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.703 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -53.21 -38.91 63.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.48 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.673 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 7.0 mtt180 -67.7 -47.69 68.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.485 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -67.72 -28.73 67.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -74.4 -33.03 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.497 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.82 -29.72 4.5 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -69.75 -37.6 76.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 0.0 110.558 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.51 -31.38 69.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.427 HG22 HD21 ' A' ' 72' ' ' LEU . 81.5 p -84.87 -49.35 8.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.549 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.64 -12.13 56.51 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.89 156.62 34.93 Favored Pre-proline 0 C--N 1.33 -0.245 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.379 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -38.69 157.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.415 2.077 . . . . 0.0 111.757 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.9 -50.39 0.35 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.317 2.011 . . . . 0.0 112.053 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.8 -54.23 5.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -44.84 -34.49 2.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.0 t -83.08 -47.6 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -47.19 -46.68 24.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.577 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.37 -65.87 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.807 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 59' ' ' MET . 7.8 tmm? -42.95 -43.28 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.43 -33.87 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -69.26 -57.89 4.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.583 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.06 -42.75 6.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.431 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -53.14 -62.7 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.21 -20.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.671 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 63' ' ' ALA . 12.3 ttt180 -80.74 -31.4 36.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.726 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -113.39 -1.92 10.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.907 -179.835 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 154.61 -97.09 0.17 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.462 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 149.33 76.58 0.02 OUTLIER Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.746 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.406 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 12.2 t-105 -161.65 135.89 6.89 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -147.13 162.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.055 0.455 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -143.01 112.78 6.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.779 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.427 HD21 HG22 ' A' ' 49' ' ' THR . 10.4 mp -80.63 -26.35 37.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.585 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -58.19 -20.66 43.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.237 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -142.35 5.6 1.65 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.379 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.2 ttt85 48.68 87.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.366 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -157.37 135.24 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.814 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -100.59 133.47 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.423 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -138.37 175.39 9.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.018 0.437 . . . . 0.0 110.729 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.69 144.01 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.239 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.427 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.626 0.25 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.14 111.18 1.86 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.828 2.352 . . . . 0.0 112.229 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -169.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.588 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -170.57 138.21 1.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.337 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -87.09 137.06 32.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.11 132.08 54.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.641 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.64 94.39 6.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 94.4 t -77.91 111.6 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.543 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -73.98 136.73 43.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.531 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -135.98 86.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.37 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -85.16 140.04 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.773 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.53 94.63 2.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -151.8 133.0 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.077 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 t -119.79 104.35 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.42 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -166.25 173.5 10.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.34 169.77 22.25 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -94.0 -172.34 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 110.559 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -145.64 115.22 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 41.8 t -100.37 128.07 52.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.533 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -78.38 139.91 38.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.46 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 74.0 t -142.76 137.33 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.599 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -100.75 125.14 47.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 110.352 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.776 HD11 ' HB1' ' B' ' 64' ' ' ALA . 6.3 mt -134.29 123.15 42.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.566 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.606 ' HB3' HG11 ' B' ' 33' ' ' VAL . . . -99.39 140.57 33.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -133.44 142.68 48.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.518 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 10.8 p -106.19 -66.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.643 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.515 ' N ' ' OG1' ' B' ' 27' ' ' THR . 0.6 OUTLIER -96.68 3.98 52.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 68.96 -8.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' B' ' 28' ' ' GLU . . . -96.99 -15.21 39.93 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.51 160.93 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.163 -0.215 . . . . 0.0 110.506 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.447 ' O ' HG13 ' B' ' 32' ' ' VAL . 10.5 p -122.44 128.57 75.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.547 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.935 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -64.21 -97.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.366 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.935 ' H ' HG13 ' B' ' 33' ' ' VAL . 54.6 m -137.02 124.03 21.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.736 0.303 . . . . 0.0 110.454 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 m -87.52 146.98 5.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -132.8 88.67 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.523 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.76 147.51 47.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.548 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.427 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 2.5 tp10 -69.09 113.21 6.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.443 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 45.6 p90 -74.62 -6.66 49.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.443 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 25.6 m-20 -77.61 -64.78 1.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.567 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 10.2 mt-10 -58.87 -38.15 78.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 74.7 m -57.39 -44.64 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.618 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -56.62 8.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.665 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -55.36 -24.06 27.49 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.648 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -76.14 -28.98 19.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.468 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.48 -18.8 70.17 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.1 -20.26 45.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.676 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -70.81 -53.09 16.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.744 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.459 ' OG1' HD13 ' B' ' 72' ' ' LEU . 1.3 m -88.93 -34.89 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.769 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.91 33.53 10.94 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.415 HD11 ' CD2' ' B' ' 72' ' ' LEU . 6.2 pt -111.15 148.55 38.93 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' B' ' 54' ' ' ARG . 74.4 Cg_exo -33.49 98.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.242 0 C-N-CA 122.886 2.391 . . . . 0.0 112.488 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -49.15 -7.71 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.191 1.927 . . . . 0.0 112.337 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' B' ' 52' ' ' PRO . 29.3 ttp85 -74.01 -56.75 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.501 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -55.3 -19.21 7.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.579 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 14.3 t -74.01 -54.75 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -46.5 -39.81 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.555 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.24 -61.13 2.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.543 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.479 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 9.0 tmm? -46.67 -51.81 15.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.423 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.479 ' N ' ' SD ' ' B' ' 59' ' ' MET . 24.7 t -58.14 -40.63 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -67.07 -53.68 28.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.493 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.93 -28.02 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.388 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -66.03 -63.19 1.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.321 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.776 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -44.21 -23.55 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.419 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' B' ' 63' ' ' ALA . 6.3 ttt180 -73.29 -44.11 59.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.526 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -102.97 -0.74 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.541 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 42.28 95.91 0.01 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.76 -162.95 20.8 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.638 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -105.95 165.44 11.2 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.777 0.322 . . . . 0.0 110.616 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -147.53 132.93 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.575 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 71' ' ' ASP . 0.3 OUTLIER -91.7 127.27 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.38 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.459 HD13 ' OG1' ' B' ' 49' ' ' THR . 2.7 mt -75.28 -52.46 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.647 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.433 ' HB2' ' H ' ' A' ' 14' ' ' VAL . 6.9 mmtp -81.74 27.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.723 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.413 ' H ' ' H ' ' B' ' 75' ' ' ARG . 2.8 mt-10 -159.32 -0.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.508 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.413 ' H ' ' H ' ' B' ' 74' ' ' GLU . 7.6 ptp85 33.97 47.0 0.16 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.45 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -101.38 171.0 7.85 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.349 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 3.0 mt -141.59 116.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.623 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . 0.418 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 7.6 mmtp -105.63 154.16 20.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.322 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' B' ' 80' ' ' GLN . 1.6 p -106.95 147.88 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.589 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' B' ' 79' ' ' VAL . 19.9 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.671 0.272 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.91 116.0 2.35 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.568 2.179 . . . . 0.0 112.124 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.18 118.51 11.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.409 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.28 151.0 37.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.567 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -79.0 146.59 33.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.619 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.26 -178.85 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.386 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.82 117.81 6.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.635 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.477 HG21 HG22 ' B' ' 60' ' ' VAL . 26.0 t -101.55 123.09 54.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.476 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -86.22 123.65 31.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.765 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.78 104.42 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.222 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.738 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.7 m -104.3 96.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.059 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -103.64 94.2 5.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.029 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 p -155.08 144.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.07 107.24 12.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.471 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.666 ' O ' HG12 ' B' ' 12' ' ' VAL . . . -175.98 168.72 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.712 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.11 166.78 17.23 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -97.68 139.58 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.912 0.387 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.73 ' CD ' ' H ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -97.16 147.83 23.68 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.98 -179.631 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 21' ' ' SER . 55.4 t -110.25 157.39 10.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.223 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 20' ' ' VAL . 12.3 t -100.25 128.29 46.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.788 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -135.74 152.94 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.305 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.1 tptt -135.52 98.29 3.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.914 0.387 . . . . 0.0 110.643 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mt -103.69 154.3 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.457 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.15 106.27 7.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.97 145.1 25.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.52 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -104.77 -67.78 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.61 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.61 15.61 17.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.668 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 55.71 27.56 10.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -139.5 -17.03 0.52 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -139.22 146.85 40.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.685 0.279 . . . . 0.0 110.474 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.725 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.7 p -107.57 89.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.498 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.559 HG23 ' N ' ' A' ' 34' ' ' THR . 27.5 m -40.95 -45.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.559 ' N ' HG23 ' A' ' 33' ' ' VAL . 28.4 p -148.55 155.95 41.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.538 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 35' ' ' VAL . 7.8 p -144.7 103.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.402 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -100.47 160.03 14.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.02 146.04 27.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.439 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.84 93.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.638 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 45.1 p90 -62.1 -14.16 33.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.603 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.638 ' OD2' ' CE1' ' A' ' 39' ' ' PHE . 79.2 m-20 -77.61 -64.59 1.11 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.56 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 41' ' ' GLU . 83.8 mt-10 -48.98 -24.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.408 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 83.1 m -74.66 -40.12 61.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.455 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -69.06 -56.7 6.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.718 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -55.48 -25.69 38.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.629 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mm -80.57 -40.19 19.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.629 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -48.3 -18.89 0.97 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.98 -60.22 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.821 0.344 . . . . 0.0 110.654 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.31 -12.92 1.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.9 p -102.54 -42.49 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.628 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.27 -22.78 36.58 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.03 155.92 57.89 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -64.25 162.82 28.52 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.184 1.923 . . . . 0.0 112.064 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 56' ' ' VAL . 48.1 Cg_endo -70.54 -43.75 1.86 Allowed 'Trans proline' 0 C--N 1.308 -1.564 0 C-N-CA 122.713 2.276 . . . . 0.0 112.143 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -44.11 -43.38 6.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -26.59 66.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' PRO . 58.7 t -82.67 -52.23 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -46.46 -54.74 8.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.611 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.98 64.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.66 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' ' 59' ' ' MET . 7.8 tmm? -54.52 -34.94 62.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.705 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 61' ' ' GLU . 5.6 t -74.61 -64.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.85 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' N ' HG12 ' A' ' 60' ' ' VAL . 15.0 mt-10 -43.41 -48.7 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.489 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.86 -52.48 41.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.95 0.405 . . . . 0.0 110.456 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.9 -53.49 56.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.382 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.6 -27.71 0.32 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.356 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -45.48 50.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.364 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -96.81 6.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.444 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.39 94.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.62 -179.08 36.99 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.537 ' HE1' ' CB ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -101.03 169.17 9.13 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.523 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.439 HG11 ' SD ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -131.25 144.47 37.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.872 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 75' ' ' ARG . 35.2 m-20 -118.0 113.09 21.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.317 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 74' ' ' GLU . 6.7 mp -71.44 -61.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.805 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' B' ' 14' ' ' VAL . 11.8 mmtm -71.62 40.09 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.57 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 72' ' ' LEU . 0.9 OUTLIER -172.6 -19.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.6 tpt180 47.1 70.76 0.37 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.546 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -138.95 134.4 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.684 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -111.36 123.76 67.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.537 ' CB ' ' HE1' ' A' ' 69' ' ' TRP . 17.3 mmtm -139.27 135.09 33.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -46.95 174.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.58 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.512 -179.911 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.733 0.302 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -51.67 116.04 2.49 Favored 'Trans proline' 0 C--N 1.308 -1.557 0 C-N-CA 122.609 2.206 . . . . 0.0 112.018 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.2 t -140.4 138.36 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -155.4 150.15 26.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.433 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -77.27 141.73 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -112.99 128.87 56.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.507 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.52 121.4 42.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.539 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.8 t -106.94 111.89 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.458 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -83.29 130.23 35.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.636 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t -111.44 107.45 22.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.516 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 16' ' ' ALA . 4.5 m -102.64 156.6 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.793 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.33 116.62 10.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.323 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.646 ' CG1' HG11 ' A' ' 12' ' ' VAL . 48.3 t -80.77 133.2 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.516 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' B' ' 16' ' ' ALA . 1.9 p -140.26 130.05 28.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' B' ' 15' ' ' VAL . . . 46.35 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.614 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.07 178.16 33.82 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.08 176.54 5.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.743 0.306 . . . . 0.0 110.628 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 23.6 mtm105 -145.78 125.09 13.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 0.0 110.693 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.745 HG22 ' OE1' ' B' ' 41' ' ' GLU . 99.9 t -102.76 139.44 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.91 132.35 35.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.523 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 16.8 t -138.26 136.02 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -108.42 133.46 52.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.686 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.603 HD11 ' HB1' ' B' ' 64' ' ' ALA . 1.2 mt -140.56 126.98 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.576 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.656 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -104.72 121.97 44.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.576 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -107.29 151.42 25.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.558 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.6 p -106.07 -99.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.613 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -80.45 24.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.685 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 54.79 42.66 31.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -147.5 -22.61 0.09 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -139.28 150.17 45.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.595 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 1.2 p -107.55 125.97 63.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.765 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.96 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -59.44 -93.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.96 ' H ' HG13 ' B' ' 33' ' ' VAL . 1.6 m -136.71 115.93 12.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.764 0.316 . . . . 0.0 110.542 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -87.66 131.5 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.652 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -132.65 102.99 5.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.44 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.97 154.31 33.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.451 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -65.0 103.09 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -66.96 -10.64 51.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.45 -64.28 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.745 ' OE1' HG22 ' B' ' 20' ' ' VAL . 0.6 OUTLIER -57.11 -23.74 49.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.71 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 91.3 m -78.13 -37.3 46.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.531 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -52.4 63.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.454 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.2 -42.1 94.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.49 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -66.07 -25.76 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.499 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.58 -19.4 54.15 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -83.0 -52.98 6.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.749 0.309 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.82 -29.5 66.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.741 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 65.8 p -85.8 -42.81 13.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.7 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.51 -21.52 40.67 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.56 155.83 53.6 Favored Pre-proline 0 C--N 1.33 -0.248 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.44 163.08 21.8 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.175 1.916 . . . . 0.0 112.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' B' ' 56' ' ' VAL . 39.8 Cg_endo -68.99 -45.35 2.06 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.592 2.194 . . . . 0.0 112.218 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -43.92 -32.11 1.03 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.794 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -78.26 -36.26 47.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.639 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' B' ' 53' ' ' PRO . 19.2 t -73.22 -23.21 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -75.79 -54.66 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.723 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.45 -25.7 66.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.521 ' SD ' ' N ' ' B' ' 60' ' ' VAL . 6.1 tmm? -76.57 -52.59 9.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.632 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.521 ' N ' ' SD ' ' B' ' 59' ' ' MET . 3.7 p -72.06 -17.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -74.28 -64.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.514 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -45.99 -48.34 16.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.452 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.54 ' HB1' ' HA2' ' B' ' 68' ' ' GLY . . . -46.27 -63.05 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.613 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -48.13 -20.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.641 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -82.76 -28.16 30.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -118.02 4.39 7.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 146.72 -101.16 0.23 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.54 ' HA2' ' HB1' ' B' ' 63' ' ' ALA . . . 153.05 74.44 0.01 OUTLIER Glycine 0 CA--C 1.528 0.864 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.1 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.443 ' CD1' ' C ' ' B' ' 69' ' ' TRP . 7.9 t-105 -151.68 136.48 17.17 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -150.13 151.06 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.134 0.492 . . . . 0.0 111.299 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.439 ' OD2' ' NE1' ' B' ' 69' ' ' TRP . 2.2 m-20 -138.28 112.54 8.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.822 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.34 -20.84 56.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.669 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -6.25 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.663 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.15 16.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.474 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.4 HH21 ' CG ' ' B' ' 75' ' ' ARG . 5.3 mtt-85 41.24 87.89 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.758 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -144.1 125.17 14.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.602 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.28 97.61 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.673 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . 0.469 ' NZ ' ' OE2' ' A' ' 74' ' ' GLU . 6.8 tttt -102.18 171.75 7.31 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.135 0.493 . . . . 0.0 110.728 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.405 HG12 ' H ' ' B' ' 79' ' ' VAL . 0.2 OUTLIER -93.45 143.97 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.315 179.565 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.673 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 2' ' ' VAL . 2.1 p . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 121.176 0.512 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -83.6 121.71 2.99 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.589 2.193 . . . . 0.0 112.285 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -99.61 150.1 22.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.6 mtp85 -137.35 126.85 25.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.547 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -79.49 137.99 37.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.621 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 22.0 tt0 -110.24 163.38 13.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.53 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -131.97 87.2 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.397 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.617 HG12 ' N ' ' A' ' 10' ' ' ARG . 67.5 t -70.67 165.1 2.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.617 ' N ' HG12 ' A' ' 9' ' ' VAL . 48.9 ttp180 -131.16 123.32 28.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.435 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.8 t -110.49 114.11 46.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -109.23 149.41 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.9 98.25 3.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.982 0.42 . . . . 0.0 110.49 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.447 HG22 ' H ' ' A' ' 14' ' ' VAL . 9.2 m -83.18 149.45 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.522 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 m -140.33 142.59 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 50.76 -167.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.506 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.08 -174.14 36.81 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -84.21 169.94 14.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.618 0.247 . . . . 0.0 110.656 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 -140.13 121.59 15.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t -105.01 133.57 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.69 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.58 140.73 38.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.639 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.34 162.55 27.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.584 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -132.03 97.36 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.634 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.59 137.56 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.574 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . . . -103.94 104.6 14.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.466 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -100.73 135.01 42.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 70.8 p -99.4 -164.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -102.57 19.88 18.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -110.02 -25.43 10.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.743 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.27 38.11 3.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.09 150.63 49.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.532 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.71 ' O ' HG13 ' A' ' 32' ' ' VAL . 8.5 p -107.43 95.24 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.953 HG13 ' H ' ' A' ' 34' ' ' THR . 2.5 p -47.55 -98.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.364 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.953 ' H ' HG13 ' A' ' 33' ' ' VAL . 1.1 m -125.1 163.42 22.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.46 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -135.99 130.26 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.634 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -104.3 98.59 8.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.793 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.61 169.37 13.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.403 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -101.92 114.19 28.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.662 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 1.093 ' HD1' ' HD2' ' A' ' 43' ' ' ARG . 33.7 p90 -66.71 -26.73 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.48 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.64 -63.74 1.0 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -58.97 -44.74 91.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.667 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.8 m -62.04 -29.33 70.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 1.093 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 76.2 mtt180 -74.98 -46.2 36.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.548 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.07 -30.01 67.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -80.35 -20.2 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.473 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.32 -18.72 79.91 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -82.88 -55.94 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.991 0.425 . . . . 0.0 110.664 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -60.08 -10.36 4.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.616 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.0 p -101.98 -36.01 8.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.44 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.88 -24.2 32.87 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -87.79 156.18 52.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -66.75 162.36 37.76 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.385 2.057 . . . . 0.0 112.131 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.72 -20.2 35.31 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.639 2.226 . . . . 0.0 112.058 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -58.84 -54.61 45.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.759 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.13 -25.74 67.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.802 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.57 -41.09 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.54 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -63.64 -54.95 27.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.32 72.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.529 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.6 tmm? -76.93 -40.51 46.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.595 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.519 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 6.2 t -64.82 -64.88 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' N ' HG12 ' A' ' 60' ' ' VAL . 51.6 mt-10 -43.29 -56.01 3.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.93 -37.19 3.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.482 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 60' ' ' VAL . . . -60.51 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.463 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.82 -20.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.626 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 63' ' ' ALA . 17.9 ttp180 -76.04 -46.73 27.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.434 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.77 2.1 10.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.518 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 42.37 95.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.79 -173.74 36.12 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.522 ' CE2' ' OE1' ' B' ' 74' ' ' GLU . 10.0 p90 -101.91 165.87 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.577 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -138.84 134.5 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.744 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -105.47 113.05 26.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 74' ' ' GLU . 1.5 mp -62.98 -55.81 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.589 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -71.42 40.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.709 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.1 tm-20 -174.68 -12.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.461 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ASP . 16.4 ttm-85 41.88 66.19 0.75 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -139.18 126.14 21.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.612 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.39 102.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.497 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 79' ' ' VAL . 30.8 mmtt -104.76 117.65 34.6 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.68 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 80' ' ' GLN . 1.0 OUTLIER -49.32 -179.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.7 tt0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.586 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.732 ' O ' HG13 ' B' ' 2' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.466 0.332 0 N-CA-C 111.398 0.148 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -84.42 102.09 0.86 Allowed 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.344 2.029 . . . . 0.0 112.196 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.49 148.7 35.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.592 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -140.29 154.7 46.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -95.54 152.5 18.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 0.0 110.433 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' B' ' 8' ' ' ASP . 42.9 tt0 -137.38 158.8 43.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.609 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.413 ' N ' ' CG ' ' B' ' 7' ' ' GLU . 1.1 m-20 -124.24 108.9 12.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.486 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -90.4 135.92 25.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -94.14 133.59 37.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.617 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 25.8 t -126.39 98.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.489 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 m -103.5 168.89 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.634 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.51 126.88 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.534 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 39.6 t -80.35 123.43 37.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 135.56 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.525 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 54.43 -177.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.58 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.23 177.36 36.11 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -94.17 168.96 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.673 0.273 . . . . 0.0 110.555 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.54 152.46 41.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.406 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 14.9 t -135.8 135.56 50.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.85 135.0 33.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.505 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.62 124.72 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.549 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -100.21 133.82 44.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.584 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 pt -139.65 129.68 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.99 111.27 23.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.507 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -98.17 135.02 40.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.534 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 72.4 p -101.23 -64.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.496 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.79 20.64 2.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 53.92 61.52 3.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.34 -57.67 0.08 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -103.11 149.17 24.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.849 0.357 . . . . 0.0 110.614 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.66 ' O ' HG13 ' B' ' 32' ' ' VAL . 8.8 p -107.57 109.6 28.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.525 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.649 HG13 ' N ' ' B' ' 34' ' ' THR . 8.8 p -42.46 -50.75 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.649 ' N ' HG13 ' B' ' 33' ' ' VAL . 6.7 m -151.2 150.3 30.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.65 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 31.8 t -104.61 141.41 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.478 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -132.8 81.84 1.97 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.54 160.53 28.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.417 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 1.7 mt-10 -80.59 117.21 21.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -72.09 -11.66 60.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.3 -64.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.965 0.412 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -45.92 91.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.494 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 60.0 m -52.57 -28.96 23.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.681 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -55.02 6.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.504 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' B' ' 47' ' ' GLU . 8.7 mm-40 -61.36 -50.73 71.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -47.21 -29.97 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.413 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.8 -28.53 68.79 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' B' ' 44' ' ' GLU . 16.5 tt0 -77.71 -42.31 34.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.626 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -67.27 -35.55 79.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 41.5 p -87.12 -44.4 11.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.509 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.52 28.14 7.69 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 39.4 mt -125.45 132.68 24.38 Favored Pre-proline 0 CA--C 1.54 0.565 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -39.58 157.43 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.677 1.585 . . . . 0.0 111.745 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.76 -45.27 1.09 Allowed 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.283 1.988 . . . . 0.0 112.189 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -46.5 -49.83 17.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.07 -59.03 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 t -56.64 -58.86 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.599 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -46.59 -34.92 5.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.568 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.72 -33.63 64.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.533 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.733 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -74.64 -47.54 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.617 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.508 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 12.9 t -51.58 -65.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -43.47 -51.98 6.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.339 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.11 -31.01 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.382 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -66.0 -61.69 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.521 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.74 -23.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.512 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' B' ' 63' ' ' ALA . 0.0 OUTLIER -75.57 -43.71 47.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.499 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -102.1 0.31 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.638 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 41.34 94.47 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.88 -172.25 40.49 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.49 160.18 14.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.731 0.301 . . . . 0.0 110.549 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.733 HG21 ' SD ' ' B' ' 59' ' ' MET . 29.4 t -125.1 151.11 30.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.415 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.409 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 2.7 m-20 -121.81 115.82 23.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.449 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -74.37 -58.01 3.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.651 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 47.8 mmtt -75.04 31.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.475 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.522 ' OE1' ' CE2' ' A' ' 69' ' ' TRP . 1.8 tm-20 -162.25 -12.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.567 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 42.06 70.66 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.644 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -137.84 157.62 46.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.583 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 9.9 mt -138.29 118.54 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.444 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.76 141.13 48.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.488 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -68.3 175.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.545 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.528 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 2' ' ' VAL . 87.2 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.754 0.312 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -82.87 130.11 5.67 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.658 2.239 . . . . 0.0 112.198 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.19 166.46 10.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.715 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.84 138.15 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.483 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.6 p90 -80.56 144.88 32.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.806 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -136.17 145.21 45.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -110.47 123.93 50.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.566 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.636 HG12 ' N ' ' A' ' 10' ' ' ARG . 60.9 t -104.04 166.61 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.479 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.636 ' N ' HG12 ' A' ' 9' ' ' VAL . 4.1 ttm180 -137.25 124.8 22.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.609 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.8 t -112.17 115.3 49.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.502 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.33 96.24 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.667 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -110.62 97.14 6.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.559 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.41 ' H ' ' HB3' ' B' ' 73' ' ' LYS . 55.5 t -138.37 134.19 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.636 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.627 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 1.6 m -139.77 106.61 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.526 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 165.16 155.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.89 177.0 32.59 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -90.37 -177.86 5.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 110.54 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.63 131.61 33.92 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.6 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.513 HG13 ' CD ' ' A' ' 41' ' ' GLU . 60.8 t -99.58 158.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.474 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.506 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -110.04 110.09 20.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.608 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.7 t -117.73 145.94 22.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.557 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -117.4 126.93 53.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.495 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.418 HD11 ' HB1' ' A' ' 64' ' ' ALA . 2.4 mt -131.56 126.24 57.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.62 109.51 21.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.622 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.67 147.29 26.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 68.4 p -93.56 -165.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.566 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 28' ' ' GLU . 3.5 mp0 -82.33 -22.71 35.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.535 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.53 -15.4 57.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.537 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.47 24.11 24.74 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -104.4 157.25 17.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 0.0 110.621 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 32' ' ' VAL . 6.8 p -107.36 89.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.437 ' H ' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -43.26 -58.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.663 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 m -151.22 143.38 24.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.475 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -114.5 136.21 51.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.41 150.29 50.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.463 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.0 141.73 46.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.478 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.99 116.13 2.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.665 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CZ ' ' OD2' ' A' ' 40' ' ' ASP . 34.0 p90 -72.72 -26.59 61.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.59 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.602 ' OD2' ' CZ ' ' A' ' 39' ' ' PHE . 1.5 m-20 -67.7 -64.5 0.85 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.756 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.513 ' CD ' HG13 ' A' ' 20' ' ' VAL . 1.8 pp20? -53.51 -28.26 30.11 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 m -75.61 -36.41 60.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.636 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.426 ' O ' ' OE2' ' A' ' 47' ' ' GLU . 1.2 mtp85 -72.27 -48.11 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.502 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -61.97 -42.42 99.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.26 -29.05 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.378 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -65.23 -29.94 76.56 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' A' ' 43' ' ' ARG . 2.3 mp0 -72.72 -37.64 67.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.699 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -76.52 -32.83 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -89.47 -49.65 6.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.607 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . 100.78 31.9 5.56 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.2 mt -125.51 132.59 24.35 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.469 ' O ' HG23 ' A' ' 56' ' ' VAL . 87.6 Cg_exo -39.2 157.24 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.85 1.7 . . . . 0.0 111.822 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -70.23 -48.41 0.63 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.145 1.897 . . . . 0.0 112.129 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -51.74 -47.31 64.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.539 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -62.69 -41.36 99.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.656 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 52' ' ' PRO . 79.4 t -70.87 -25.08 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.405 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -77.21 -31.45 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.616 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.78 -22.07 34.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.598 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 59' ' ' MET . 8.5 tmm? -77.84 -48.49 16.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.551 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.43 HG23 HG11 ' B' ' 9' ' ' VAL . 5.6 p -74.97 -28.88 21.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.438 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 4.9 tm-20 -62.21 -64.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.438 ' N ' ' CD ' ' A' ' 61' ' ' GLU . . . -48.7 -43.49 37.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.361 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -54.32 -46.25 72.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.692 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.418 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -60.89 -20.13 61.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.563 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.84 -37.83 34.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.833 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.79 -9.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 159.36 -96.28 0.15 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.455 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 147.87 76.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.918 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.531 ' CZ2' ' OD1' ' A' ' 71' ' ' ASP . 83.6 t90 -152.88 135.51 15.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.436 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 79.4 t -155.65 149.17 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.092 0.472 . . . . 0.0 111.4 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.531 ' OD1' ' CZ2' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -145.41 111.75 5.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.551 178.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 74' ' ' GLU . 8.7 mp -66.45 -7.57 20.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.181 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -27.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.329 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -173.67 33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.315 179.737 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 57.24 85.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.55 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -135.53 146.53 48.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.6 mt -136.87 120.21 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -142.03 -171.91 3.46 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -104.54 143.73 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.46 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.579 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.65 ' O ' HG13 ' B' ' 2' ' ' VAL . 7.2 p . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 120.637 0.256 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -51.62 139.81 47.0 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.573 2.182 . . . . 0.0 111.996 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.19 138.57 38.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.526 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -143.28 142.52 31.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -93.76 153.84 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.646 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -130.21 136.24 49.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.452 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.15 120.8 39.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.517 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.43 HG11 HG23 ' A' ' 60' ' ' VAL . 60.7 t -101.66 120.03 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.704 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -84.51 128.23 34.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.377 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.7 t -127.07 126.75 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.674 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.37 176.69 8.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -168.41 93.45 0.34 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.992 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.632 ' O ' HG13 ' B' ' 14' ' ' VAL . 12.0 p -155.27 115.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 t -91.42 119.22 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.685 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -178.78 173.68 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.53 157.98 9.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 29.8 m95 -91.53 -176.27 4.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.894 0.378 . . . . 0.0 110.29 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -145.48 144.91 30.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 26.7 t -139.34 144.24 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.492 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.86 149.33 23.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.427 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.83 140.27 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.626 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -115.68 97.47 6.15 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.492 HG22 ' HB ' ' B' ' 35' ' ' VAL . 2.1 pp -106.63 128.35 61.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.744 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.555 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -100.84 138.34 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.623 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -132.86 140.75 48.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.73 -161.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.412 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -100.92 22.14 12.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.671 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -110.83 -21.42 12.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.798 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.02 6.38 45.75 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.63 160.8 14.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.51 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 88.3 t -107.54 111.99 38.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.562 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.914 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -56.78 -97.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.914 ' H ' HG13 ' B' ' 33' ' ' VAL . 5.0 m -143.76 118.05 9.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 110.811 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.492 ' HB ' HG22 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -95.19 143.75 11.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.427 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -132.69 94.55 3.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.514 ' HB3' ' HG3' ' B' ' 57' ' ' LYS . . . -64.77 142.0 58.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.649 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.64 119.58 2.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.456 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.801 ' CE1' ' OD2' ' B' ' 40' ' ' ASP . 39.7 p90 -72.56 -20.11 61.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.617 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.801 ' OD2' ' CE1' ' B' ' 39' ' ' PHE . 53.3 m-20 -71.57 -64.56 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.458 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -54.63 -44.45 73.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 23.3 m -61.26 -38.89 88.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.557 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' B' ' 39' ' ' PHE . 13.3 mmt85 -68.44 -50.85 49.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.66 -31.96 72.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.504 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' B' ' 48' ' ' GLU . 1.3 mm -76.24 -33.57 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.81 -24.45 1.89 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -76.67 -34.57 58.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 110.561 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' B' ' 45' ' ' ILE . 7.1 mm-40 -72.61 -26.43 61.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -88.54 -49.05 7.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.685 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.4 -12.66 56.95 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -99.74 156.48 35.3 Favored Pre-proline 0 C--N 1.33 -0.261 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -38.51 157.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.44 2.093 . . . . 0.0 111.85 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -71.21 -53.0 0.2 Allowed 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.348 2.032 . . . . 0.0 112.098 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -43.95 -44.75 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.706 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -48.81 -57.89 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 59' ' ' MET . 51.1 t -60.25 -48.68 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.646 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.514 ' HG3' ' HB3' ' B' ' 37' ' ' ALA . 23.6 tttp -46.12 -42.22 13.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.724 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.88 -23.97 58.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.636 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.641 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -77.04 -63.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.13 -28.14 10.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -68.73 -49.19 60.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.477 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.76 -31.46 38.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -62.56 -61.76 2.21 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.449 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.84 -27.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.399 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -68.22 -44.28 76.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.596 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.54 -1.44 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.789 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 50.21 98.2 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.22 -148.35 6.5 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 12.5 p90 -134.43 171.23 14.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.745 0.307 . . . . 0.0 110.692 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.641 HG21 ' SD ' ' B' ' 59' ' ' MET . 42.1 t -132.2 155.35 41.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.729 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.52 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.0 OUTLIER -136.6 112.78 9.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.423 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -80.68 -20.36 43.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.476 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 14' ' ' VAL . 19.2 pttt -48.74 -30.77 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.617 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -156.47 30.97 0.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.621 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 42.88 87.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -138.43 153.54 48.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 9.1 mt -140.39 131.9 30.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.648 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 29.8 mttt -141.47 169.08 18.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.545 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.45 -162.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.572 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 2' ' ' VAL . 2.1 p . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.928 0.394 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.72 90.26 0.95 Allowed 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.725 2.283 . . . . 0.0 112.274 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -91.74 151.16 20.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.386 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ptt85 -162.11 148.39 13.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.575 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -77.52 146.32 36.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.629 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -110.57 138.6 46.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.507 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.83 99.5 8.63 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.607 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.5 t -79.44 112.2 17.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.614 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.611 HH11 HG11 ' A' ' 12' ' ' VAL . 2.2 ttp-105 -76.82 123.52 26.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.605 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.7 t -115.66 108.44 25.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.147 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 12' ' ' VAL . 26.7 m -101.16 96.06 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.897 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.664 ' OE1' HD22 ' B' ' 72' ' ' LEU . 2.5 mt-30 -111.28 94.98 5.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.173 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.5 m -151.87 150.33 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.666 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -134.31 106.02 7.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 175.91 149.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.511 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.26 -156.6 21.56 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -82.9 -175.44 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.687 0.279 . . . . 0.0 110.576 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -147.72 144.19 28.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.32 143.72 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.474 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.51 132.93 35.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 t -142.89 129.91 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.649 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -94.16 141.52 28.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.693 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 mt -145.12 130.24 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -100.53 101.79 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.53 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.23 143.7 39.99 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.559 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -100.78 -137.71 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.589 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -100.67 -27.79 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.481 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 0.8 OUTLIER -78.22 16.72 0.72 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.504 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.65 33.89 42.51 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.92 141.61 33.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.706 0.289 . . . . 0.0 110.497 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 32' ' ' VAL . 9.2 p -107.5 105.76 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.944 HG13 ' H ' ' A' ' 34' ' ' THR . 2.5 p -61.0 -95.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.944 ' H ' HG13 ' A' ' 33' ' ' VAL . 59.8 p -120.88 132.6 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 0.0 110.584 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.55 139.68 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.88 143.0 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.3 142.03 41.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.38 116.49 4.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.658 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -67.71 -9.2 41.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.19 -64.7 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.464 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.77 -29.61 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.455 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -37.5 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.749 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.414 ' O ' ' OE1' ' A' ' 47' ' ' GLU . 58.3 mtt-85 -74.77 -56.66 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -51.71 -25.96 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.57 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -75.61 -35.83 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.595 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -58.68 -18.69 39.44 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -78.37 -32.79 49.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.828 0.347 . . . . 0.0 110.66 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 2.5 mp0 -77.46 -30.75 53.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.611 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.3 p -93.68 -50.18 5.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.87 33.69 7.69 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.717 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.38 155.19 72.04 Favored Pre-proline 0 N--CA 1.463 0.193 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -35.78 100.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.278 0 C-N-CA 122.773 2.315 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -49.54 -21.12 4.81 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.181 1.921 . . . . 0.0 112.071 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -65.53 -51.2 61.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.13 -39.87 87.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.401 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.08 -45.35 23.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -60.6 -42.22 96.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.478 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.37 -19.89 60.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.513 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 59' ' ' MET . 12.5 tmm? -82.33 -56.23 4.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.565 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.553 HG23 HG11 ' B' ' 9' ' ' VAL . 2.2 p -64.81 -13.71 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.674 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -81.85 -49.62 10.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.2 -47.73 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -60.17 -63.14 1.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.61 -24.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.479 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 63' ' ' ALA . 3.6 ttp180 -69.7 -46.83 65.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.492 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.42 14.4 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 52.23 100.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.0 167.33 39.71 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.9 OUTLIER -101.11 174.38 6.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.732 0.301 . . . . 0.0 110.433 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 t -140.5 134.14 33.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.819 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 75' ' ' ARG . 5.8 m-20 -107.99 113.07 25.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.29 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.52 HD22 ' HG2' ' B' ' 13' ' ' GLN . 4.8 mp -70.45 -42.44 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.46 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -73.09 14.91 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.702 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.6 tt0 -152.03 -11.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.526 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' ASP . 6.8 mmt180 43.27 53.89 5.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.467 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -136.46 138.16 41.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.506 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.55 145.81 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.514 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 148.49 38.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.611 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.02 141.14 15.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.546 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.62 HG22 ' O ' ' B' ' 2' ' ' VAL . 2.0 p . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 121.146 0.498 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -83.64 124.22 3.5 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.684 2.256 . . . . 0.0 112.279 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 88.1 p -94.83 143.9 26.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.451 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -150.71 142.4 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -97.27 152.45 18.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.614 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -110.32 159.69 17.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.394 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.88 84.99 2.35 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.617 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.553 HG11 HG23 ' A' ' 60' ' ' VAL . 62.0 t -65.35 120.77 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.364 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.4 ' HB3' HH21 ' B' ' 10' ' ' ARG . 10.5 ttm105 -98.78 123.41 43.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -105.55 102.06 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.369 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 12' ' ' VAL . 21.8 m -92.33 106.6 17.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.708 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.52 ' HG2' HD22 ' A' ' 72' ' ' LEU . 1.9 mp0 -118.48 95.02 4.69 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.284 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.71 155.34 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.705 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 1.5 p -140.3 104.51 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.636 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.633 ' O ' HG12 ' A' ' 12' ' ' VAL . . . 173.14 153.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.711 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.01 -162.91 27.78 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -90.65 -168.35 2.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.292 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -137.28 136.17 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.617 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.699 HG13 ' OE2' ' B' ' 41' ' ' GLU . 95.6 t -106.73 153.6 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.413 ' N ' HG12 ' B' ' 20' ' ' VAL . 13.7 t -102.52 116.63 33.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.644 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.444 HG12 ' N ' ' B' ' 23' ' ' LYS . 60.8 t -134.17 155.68 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.448 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.444 ' N ' HG12 ' B' ' 22' ' ' VAL . 52.8 tttt -123.78 127.45 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.668 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.53 HD11 ' HB1' ' B' ' 64' ' ' ALA . 2.6 mt -136.01 126.36 41.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.365 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.91 152.0 21.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.654 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -133.5 160.5 37.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.541 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.21 144.6 42.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.653 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -89.68 26.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.23 13.99 24.07 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.378 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.36 26.24 55.21 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -139.57 137.13 35.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.686 0.279 . . . . 0.0 110.511 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.503 HG23 ' O ' ' B' ' 32' ' ' VAL . 6.3 m -107.63 127.59 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.514 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.994 HG12 ' H ' ' B' ' 34' ' ' THR . 9.6 t -63.22 -163.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.857 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.994 ' H ' HG12 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -112.81 163.51 14.52 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.969 0.414 . . . . 0.0 110.994 -179.417 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.76 143.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.534 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -131.4 89.65 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.546 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.39 160.35 29.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.635 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.79 124.01 30.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.715 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.833 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 40.5 p90 -67.91 -16.48 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.73 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.833 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 16.8 m-20 -76.54 -64.14 1.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.639 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.699 ' OE2' HG13 ' B' ' 20' ' ' VAL . 1.3 pp20? -55.35 -25.58 35.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.465 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 55.8 m -75.77 -31.23 59.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.457 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -81.38 -40.27 23.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -70.23 -38.61 75.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.611 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.4 mm -65.39 -24.96 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.86 -50.65 10.56 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -47.62 -23.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 110.492 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -79.09 -40.88 30.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.627 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.491 ' CG2' HE22 ' A' ' 13' ' ' GLN . 62.1 p -86.55 -50.03 7.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.46 33.69 5.56 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.502 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.419 ' CD1' ' NH1' ' B' ' 75' ' ' ARG . 0.7 OUTLIER -123.97 155.98 66.45 Favored Pre-proline 0 C--N 1.331 -0.202 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -35.0 99.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.893 2.395 . . . . 0.0 112.423 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -49.93 -19.9 4.39 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.228 1.952 . . . . 0.0 111.993 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -69.5 -54.57 13.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.583 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.24 -25.65 61.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.624 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 56.4 t -68.54 -39.47 80.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.591 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -65.08 -35.63 81.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.716 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.09 -11.77 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.618 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.471 ' SD ' HG21 ' B' ' 70' ' ' VAL . 11.0 tmm? -82.76 -47.77 11.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 p -75.87 -25.43 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -69.94 -51.33 33.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.67 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.81 -53.39 55.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.5 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -53.55 -60.54 3.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.536 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.53 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -43.43 -29.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.477 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -66.6 -42.47 86.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.357 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' B' ' 63' ' ' ALA . 0.1 OUTLIER -103.29 -0.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.665 179.746 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 58.79 96.52 0.01 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.83 177.16 37.34 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.7 OUTLIER -101.17 174.1 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.374 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.471 HG21 ' SD ' ' B' ' 59' ' ' MET . 12.0 t -138.06 143.52 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.933 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.0 OUTLIER -132.93 113.07 12.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.045 179.417 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.664 HD22 ' OE1' ' A' ' 13' ' ' GLN . 1.5 mp -78.45 -31.67 48.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.616 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -63.11 -5.24 2.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.486 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.426 ' O ' ' OE1' ' B' ' 76' ' ' GLU . 1.6 tt0 -148.28 -4.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.546 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' B' ' 71' ' ' ASP . 7.8 mmt180 52.01 62.26 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.48 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 74' ' ' GLU . 0.4 OUTLIER -127.88 169.23 14.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.445 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.519 ' O ' HG22 ' B' ' 77' ' ' ILE . 21.4 mt -131.01 85.84 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 69' ' ' TRP . 0.2 OUTLIER -64.83 132.72 50.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.691 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 6.3 p -101.69 143.1 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.438 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.429 ' CG ' ' HE1' ' B' ' 69' ' ' TRP . 37.7 mt-30 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 2' ' ' VAL . 7.4 p . . . . . 0 C--O 1.234 0.249 0 CA-C-O 120.59 0.233 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -83.6 100.61 0.89 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.818 2.345 . . . . 0.0 112.178 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -178.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -166.41 133.51 2.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -96.41 148.83 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.35 162.75 14.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.86 96.96 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.618 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.9 t -87.95 121.42 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -89.65 123.33 33.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 t -105.99 114.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.261 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.487 HG12 ' C ' ' B' ' 16' ' ' ALA . 15.0 m -98.13 134.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.29 95.13 3.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.002 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -112.43 151.74 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 p -105.58 144.9 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.458 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -38.73 141.6 0.26 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.26 -91.88 1.39 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 19' ' ' ARG . 40.2 t-105 -96.55 162.61 13.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.701 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' N ' ' CD1' ' A' ' 18' ' ' TRP . 3.4 mtt180 -150.57 135.84 17.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 21' ' ' SER . 47.6 t -95.4 157.7 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.471 ' N ' HG12 ' A' ' 20' ' ' VAL . 22.9 t -105.15 132.29 51.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.7 t -142.99 139.25 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.2 106.92 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.512 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.7 mt -107.81 135.56 46.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.48 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -107.84 99.15 8.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.493 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -100.44 137.61 38.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.485 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.465 ' OG1' ' N ' ' A' ' 28' ' ' GLU . 30.4 p -100.97 -66.66 0.9 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.62 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.477 ' C ' ' H ' ' A' ' 30' ' ' GLY . 4.3 mm-40 -87.12 21.7 2.28 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 59.4 2.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -136.77 18.84 3.56 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -139.48 146.57 40.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 110.443 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 32' ' ' VAL . 7.2 p -130.65 89.21 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.406 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.679 HG23 ' N ' ' A' ' 34' ' ' THR . 34.9 m -51.18 -56.02 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.114 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.679 ' N ' HG23 ' A' ' 33' ' ' VAL . 59.5 p -147.38 163.62 35.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.38 145.15 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.48 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -132.64 116.52 16.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.691 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.46 158.18 15.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.93 127.54 33.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.635 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.866 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 32.3 p90 -78.56 -25.68 45.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.741 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.866 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -66.89 -64.43 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.62 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -53.63 -38.44 64.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.443 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.1 m -70.85 -25.03 62.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 39' ' ' PHE . 14.0 mmm-85 -81.63 -31.17 32.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.645 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -82.96 -38.1 23.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.668 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.501 HD11 HG11 ' B' ' 11' ' ' VAL . 0.8 OUTLIER -64.27 -25.13 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.498 -179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.9 -22.99 74.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -82.84 -31.08 28.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' OE2' ' A' ' 48' ' ' GLU . 1.1 mm-40 -84.09 -24.69 30.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.556 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -98.38 -47.8 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.64 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.38 32.04 5.03 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mt -125.38 125.61 25.12 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.769 ' O ' HG23 ' A' ' 56' ' ' VAL . 84.0 Cg_exo -40.55 156.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.77 1.647 . . . . 0.0 111.735 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.28 -41.6 6.71 Favored 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 122.379 2.053 . . . . 0.0 112.341 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.2 mmm-85 -53.82 -56.64 15.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.356 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.98 -40.57 85.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.606 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 52' ' ' PRO . 93.2 t -62.15 -57.24 12.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.609 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -45.86 -43.16 13.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.383 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.71 84.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 59' ' ' MET . 4.4 tmm? -71.09 -48.94 49.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.465 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.435 ' N ' ' SD ' ' A' ' 59' ' ' MET . 97.8 t -71.99 -23.0 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -75.04 -60.59 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.88 -48.16 8.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.385 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' VAL . . . -52.52 -62.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.692 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.73 -20.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' ALA . 31.0 ttp85 -80.83 -36.11 31.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.7 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -107.73 -2.83 10.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 155.51 -96.04 0.15 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 149.66 77.03 0.02 OUTLIER Glycine 0 CA--C 1.527 0.837 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.496 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.493 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 5.7 t-105 -159.69 136.35 9.2 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.625 HG12 ' N ' ' A' ' 71' ' ' ASP . 57.0 t -148.11 164.88 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 0.0 111.467 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.625 ' N ' HG12 ' A' ' 70' ' ' VAL . 35.3 m-20 -143.38 113.07 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.415 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 74' ' ' GLU . 5.9 mp -75.01 -62.67 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.53 -178.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -60.2 1.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.231 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 72' ' ' LEU . 8.3 mm-40 -131.38 -7.71 3.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.487 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 mmm-85 43.57 68.13 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.712 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.528 ' OE2' ' NZ ' ' A' ' 78' ' ' LYS . 7.2 mm-40 -145.79 124.36 12.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.603 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.7 mt -103.86 125.89 58.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.378 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.528 ' NZ ' ' OE2' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -147.4 -166.56 2.55 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.576 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.79 143.59 20.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.359 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.57 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.58 0.229 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -84.15 130.87 4.88 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.89 2.393 . . . . 0.0 112.244 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 54.2 p -108.97 150.99 26.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.631 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -155.76 148.37 23.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.482 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -86.33 141.77 28.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.732 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -110.32 137.83 47.51 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.466 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.96 101.9 12.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.67 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.05 112.73 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -67.62 137.26 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.501 HG11 HD11 ' A' ' 45' ' ' ILE . 54.2 t -140.34 91.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.454 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.4 m -112.12 151.44 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.59 98.2 3.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.085 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.425 ' O ' ' OE2' ' A' ' 74' ' ' GLU . 80.5 t -152.09 153.12 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.878 0.37 . . . . 0.0 110.697 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.541 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 2.5 p -140.3 142.08 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' B' ' 15' ' ' VAL . . . 72.11 -177.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.11 -63.49 0.12 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.81 -169.96 2.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.785 0.326 . . . . 0.0 110.515 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -144.1 124.98 14.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.611 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -116.75 119.43 61.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.479 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 32.1 t -81.99 152.47 26.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.668 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 t -137.86 164.24 28.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.454 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.55 110.24 9.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 mt -138.25 125.93 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.507 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.44 101.7 13.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -92.19 145.8 24.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 41.1 p -100.11 -142.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' B' ' 30' ' ' GLY . 9.0 mt-10 -100.68 -57.82 2.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.643 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -41.48 -22.43 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.739 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 28' ' ' GLU . . . 91.04 56.56 1.7 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -136.9 161.03 37.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.65 0.262 . . . . 0.0 110.631 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.712 ' O ' HG13 ' B' ' 32' ' ' VAL . 8.0 p -107.4 93.65 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.556 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.457 HG22 ' H ' ' B' ' 33' ' ' VAL . 0.0 OUTLIER -48.2 -57.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 -179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.05 163.15 39.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.602 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -139.71 126.08 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.461 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -132.57 94.57 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.614 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.47 146.15 36.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.4 ' O ' ' SG ' ' B' ' 42' ' ' CYS . 1.6 tt0 -54.21 108.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.328 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 1.296 ' CD1' ' NH1' ' B' ' 43' ' ' ARG . 40.0 p90 -69.83 -18.71 63.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.733 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.18 -64.35 0.93 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.711 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -56.7 -23.75 44.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.662 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' B' ' 38' ' ' GLU . 99.9 m -77.85 -28.79 50.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 1.296 ' NH1' ' CD1' ' B' ' 39' ' ' PHE . 6.8 mtm180 -81.74 -29.64 32.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.406 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.422 ' O ' ' OE2' ' B' ' 48' ' ' GLU . 2.5 tt0 -81.46 -47.45 13.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.689 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -56.0 -20.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.33 -18.9 70.37 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -85.0 -20.31 30.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.602 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' B' ' 44' ' ' GLU . 0.4 OUTLIER -73.43 -41.79 62.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.667 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.87 HG21 HD22 ' B' ' 72' ' ' LEU . 1.5 m -92.31 -34.39 14.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.777 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.67 33.42 5.06 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 pt -122.53 148.34 52.67 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -59.42 163.67 12.25 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.883 1.722 . . . . 0.0 112.139 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' B' ' 56' ' ' VAL . 55.3 Cg_endo -71.66 -48.21 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.725 2.283 . . . . 0.0 112.389 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.8 tpp85 -43.71 -27.68 0.34 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.523 ' OE1' ' NH1' ' B' ' 75' ' ' ARG . 22.1 mm-40 -75.65 -33.7 60.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.688 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 53' ' ' PRO . 15.7 t -80.32 -58.33 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.498 ' NZ ' ' OE2' ' B' ' 61' ' ' GLU . 23.5 tttp -45.88 -41.78 11.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.02 -39.53 83.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.786 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.435 ' C ' ' SD ' ' B' ' 59' ' ' MET . 0.0 OUTLIER -73.8 -61.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' B' ' 63' ' ' ALA . 16.9 t -41.33 -70.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.498 ' OE2' ' NZ ' ' B' ' 57' ' ' LYS . 33.7 mt-10 -43.46 -58.96 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.797 0.332 . . . . 0.0 110.535 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.78 -35.7 1.99 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.338 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' B' ' 60' ' ' VAL . . . -69.6 -59.95 2.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.583 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.39 -20.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' B' ' 63' ' ' ALA . 10.5 ttp85 -80.14 -47.3 14.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.786 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.1 OUTLIER -98.7 1.16 10.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.692 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 48.08 99.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.13 175.6 42.85 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 5.6 m0 -100.95 162.66 12.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.69 0.281 . . . . 0.0 110.539 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.8 t -129.79 133.96 63.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' B' ' 75' ' ' ARG . 0.7 OUTLIER -102.1 112.93 25.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.18 179.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.87 HD22 HG21 ' B' ' 49' ' ' THR . 3.2 mt -74.85 -30.82 61.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -0.53 2.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.819 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -163.4 11.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.66 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' B' ' 71' ' ' ASP . 74.5 mtp180 40.83 46.4 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.601 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -107.3 179.09 4.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.594 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.09 157.91 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.627 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.55 146.41 28.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 3.9 t -84.63 140.16 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.572 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.616 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 2' ' ' VAL . 2.4 p . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -53.54 167.65 0.88 Allowed 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.076 1.85 . . . . 0.0 111.945 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.91 150.82 30.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.618 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -153.78 151.78 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -102.63 153.59 19.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.533 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.94 130.51 48.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.625 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.69 97.98 8.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.649 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 t -75.04 117.57 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.436 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -97.81 123.25 41.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.52 101.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.589 ' O ' HG23 ' A' ' 12' ' ' VAL . 34.0 m -91.65 111.9 24.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.459 ' OE1' HG22 ' B' ' 49' ' ' THR . 12.9 mt-30 -107.25 94.5 5.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.164 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.42 153.56 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.718 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.664 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 2.0 p -139.41 116.5 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.564 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 163.39 172.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.541 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.11 176.97 39.0 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -98.78 -176.68 3.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.821 0.343 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -144.49 118.08 9.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.9 t -103.64 147.79 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.458 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.36 140.26 38.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.593 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 36' ' ' LYS . 96.3 t -142.94 145.17 23.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.488 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -107.07 134.96 49.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.559 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.617 HD11 ' HB1' ' A' ' 64' ' ' ALA . 5.9 mt -139.31 134.51 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -110.06 100.54 9.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.661 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -105.89 139.1 40.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.5 p -100.67 -97.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.474 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 5.0 mt-10 -61.67 -5.04 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 28' ' ' GLU . 9.6 tt0 78.43 -6.82 1.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.96 -18.83 21.28 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -139.54 141.48 37.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.726 0.298 . . . . 0.0 110.64 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.613 ' O ' HG13 ' A' ' 32' ' ' VAL . 10.2 p -108.07 113.44 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.634 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.707 HG13 ' H ' ' A' ' 34' ' ' THR . 7.5 p -52.62 -59.28 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.707 ' H ' HG13 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -151.14 163.64 38.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.649 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.8 m -132.93 150.07 32.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.416 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' O ' HG13 ' A' ' 22' ' ' VAL . 1.5 ttmm -132.63 174.79 9.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.444 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.37 121.17 2.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.474 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -52.34 118.07 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -76.77 -9.65 58.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.725 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.75 -64.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG3' ' H ' ' A' ' 41' ' ' GLU . 16.8 mt-10 -58.65 -39.06 79.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.582 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.0 m -61.16 -32.74 72.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.613 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -80.29 -55.86 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.501 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.3 -24.46 28.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.3 mm -76.48 -34.12 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.594 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.81 -27.54 13.54 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -74.62 -23.46 58.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 0.0 110.548 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -86.85 -32.65 20.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.617 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.1 p -88.06 -49.69 6.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.461 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.47 -16.11 55.36 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.637 ' CD1' HH22 ' A' ' 75' ' ' ARG . 0.6 OUTLIER -89.68 156.46 47.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 C-N-CA 121.106 -0.238 . . . . 0.0 110.467 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -38.81 157.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.466 2.111 . . . . 0.0 111.929 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.33 -49.44 0.29 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.288 1.992 . . . . 0.0 111.963 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -45.7 -54.63 7.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -45.39 -35.11 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.587 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.65 -34.22 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HZ3' ' CB ' ' A' ' 57' ' ' LYS . 6.6 ttpm? -71.3 -48.65 49.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.501 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.09 68.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 60' ' ' VAL . 9.3 tmm? -75.86 -57.17 4.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.409 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.473 ' N ' ' SD ' ' A' ' 59' ' ' MET . 1.4 p -61.52 -14.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -77.66 -53.57 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.385 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.43 -36.8 34.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.394 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -62.76 -62.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.617 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -43.52 -21.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.616 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -75.0 -47.55 28.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -103.5 2.23 10.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.747 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 46.4 98.16 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.35 -142.34 3.37 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.467 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -138.85 174.04 10.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.564 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -149.74 150.21 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.796 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -126.58 112.74 15.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.046 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -67.83 -21.64 65.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -39.12 0.52 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CD ' ' HE1' ' B' ' 69' ' ' TRP . 5.4 mt-10 -152.35 16.59 0.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.536 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.637 HH22 ' CD1' ' A' ' 51' ' ' ILE . 12.9 tpp180 60.1 83.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.549 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -134.62 125.81 27.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.631 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt -111.03 125.8 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.656 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -142.3 -174.95 4.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.523 HG13 ' N ' ' A' ' 80' ' ' GLN . 11.9 p -100.77 -42.45 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.523 ' N ' HG13 ' A' ' 79' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.691 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.567 ' O ' HG13 ' B' ' 2' ' ' VAL . 4.5 p . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.605 0.24 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.48 161.56 14.8 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.78 2.32 . . . . 0.0 112.126 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 53.6 p -133.57 151.17 51.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.624 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.536 HH11 ' CD ' ' B' ' 7' ' ' GLU . 6.0 ptm180 -153.14 138.02 17.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.527 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.421 ' CD1' ' OD2' ' B' ' 8' ' ' ASP . 49.7 p90 -79.34 146.48 32.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.536 ' CD ' HH11 ' B' ' 5' ' ' ARG . 3.7 tp10 -110.24 128.22 55.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.568 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.421 ' OD2' ' CD1' ' B' ' 6' ' ' PHE . 40.9 m-20 -99.28 101.07 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.618 HG12 ' N ' ' B' ' 10' ' ' ARG . 61.1 t -85.02 165.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.512 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.618 ' N ' HG12 ' B' ' 9' ' ' VAL . 24.0 ttm-85 -135.89 135.38 39.67 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.504 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 t -127.36 98.35 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.3 m -93.39 150.02 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.615 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -148.6 94.67 2.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.255 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.567 HG21 HG21 ' A' ' 12' ' ' VAL . 32.6 m -82.91 155.56 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.699 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -113.0 144.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.523 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.93 152.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.519 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.42 -109.36 0.83 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -77.55 167.07 22.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.867 0.365 . . . . 0.0 110.447 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -142.01 138.59 31.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.583 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 98.7 t -118.96 130.51 73.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.567 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.15 138.23 33.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.703 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.432 HG12 ' N ' ' B' ' 23' ' ' LYS . 96.4 t -140.46 153.96 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.6 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.432 ' N ' HG12 ' B' ' 22' ' ' VAL . 72.5 tttt -134.42 97.32 3.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.496 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.484 ' CG2' HG13 ' B' ' 35' ' ' VAL . 5.0 pt -108.43 134.81 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.39 111.53 23.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.616 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.18 136.04 41.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.475 ' C ' ' H ' ' B' ' 29' ' ' GLU . 40.9 p -100.3 -76.7 0.55 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.531 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -73.89 19.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.646 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' B' ' 27' ' ' THR . 4.9 mt-10 58.48 21.58 8.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.513 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.42 -41.74 0.05 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.7 142.86 32.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 110.714 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.643 ' O ' HG13 ' B' ' 32' ' ' VAL . 11.2 p -107.49 113.15 42.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.545 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.464 ' H ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -48.84 -57.92 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.667 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -151.32 147.73 27.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.572 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.484 HG13 ' CG2' ' B' ' 24' ' ' ILE . 5.6 t -102.92 141.45 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.669 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -132.75 82.3 1.99 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.716 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.7 151.11 34.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.517 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.8 119.94 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 1.057 ' CD1' ' NH2' ' B' ' 43' ' ' ARG . 23.7 p90 -78.11 -38.15 44.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.657 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.605 ' OD2' ' CZ ' ' B' ' 39' ' ' PHE . 1.2 m-20 -45.4 -60.23 2.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.92 -59.1 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.644 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 m -48.91 -26.59 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 1.057 ' NH2' ' CD1' ' B' ' 39' ' ' PHE . 82.8 mtt180 -81.96 -34.17 29.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.09 -25.97 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.856 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -78.11 -26.46 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.902 0.382 . . . . 0.0 110.782 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -65.5 -18.79 66.08 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -87.77 -20.13 26.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -95.82 1.32 53.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.459 HG22 ' OE1' ' A' ' 13' ' ' GLN . 81.8 p -132.2 -25.29 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.598 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.07 -27.08 19.95 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.522 HG13 HD11 ' B' ' 72' ' ' LEU . 8.6 mm -60.62 133.03 91.43 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -68.95 154.24 71.18 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.428 1.418 . . . . 0.0 112.2 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -43.03 -62.64 0.41 Allowed 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.719 2.279 . . . . 0.0 113.273 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -43.14 -57.71 2.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.744 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -51.03 -56.1 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.841 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.29 -56.7 14.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.615 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' B' ' 61' ' ' GLU . 28.3 ttpt -45.93 -42.78 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -59.19 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.404 ' O ' ' HB3' ' B' ' 62' ' ' ALA . 54.5 tpp -54.21 -44.26 71.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.732 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.458 HG12 ' N ' ' B' ' 61' ' ' GLU . 4.8 t -56.12 -67.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.489 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.458 ' N ' HG12 ' B' ' 60' ' ' VAL . 12.0 mt-10 -43.32 -47.81 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.268 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' B' ' 59' ' ' MET . . . -44.29 -38.94 4.18 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.243 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -64.2 -56.45 14.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.244 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.71 -20.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.487 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' B' ' 63' ' ' ALA . 1.5 ttt85 -80.69 -47.32 14.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' B' ' 67' ' ' GLY . 0.0 OUTLIER -100.76 3.96 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.768 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 40.81 94.09 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.49 -169.4 34.34 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 1.7 p-90 -105.62 174.41 5.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 110.334 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 71.4 t -145.39 134.97 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.996 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' B' ' 75' ' ' ARG . 52.7 t0 -110.26 112.98 25.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.907 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.522 HD11 HG13 ' B' ' 51' ' ' ILE . 0.5 OUTLIER -76.34 -43.4 41.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.052 -179.689 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -6.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.572 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.456 ' H ' ' C ' ' B' ' 72' ' ' LEU . 41.0 mt-10 -139.26 -12.45 1.2 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.476 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' B' ' 71' ' ' ASP . 3.3 ttt85 57.11 70.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -146.17 151.87 38.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 mp -130.58 125.36 58.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.571 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -127.64 144.99 51.03 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.68 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.415 ' O ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -67.81 -176.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.591 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.506 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.739 ' O ' HG13 ' A' ' 2' ' ' VAL . 8.4 p . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 111.263 0.097 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -83.93 140.58 9.08 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 122.182 1.922 . . . . 0.0 112.275 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.3 p -103.14 138.13 40.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.433 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -108.19 143.45 36.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -103.44 136.62 42.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.585 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 29.0 tt0 -118.03 162.86 17.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.358 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 0.4 OUTLIER -130.57 113.9 14.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.4 t -100.92 130.29 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.556 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -92.63 123.17 35.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.03 101.02 8.83 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.584 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.7 m -81.35 142.94 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.576 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -147.63 95.22 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.254 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.13 136.06 8.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.74 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.64 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.9 p -140.35 114.71 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.707 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 165.63 153.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.38 -166.41 39.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -90.18 -177.08 5.05 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.802 0.334 . . . . 0.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' CZ ' ' NH1' ' B' ' 10' ' ' ARG . 57.6 mtt-85 -135.37 150.06 49.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.491 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.878 HG22 ' OE1' ' A' ' 41' ' ' GLU . 86.2 t -126.92 145.25 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.405 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.2 m -100.72 109.71 21.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.518 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.39 148.28 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.582 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -133.18 112.26 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.615 ' CG2' HG13 ' A' ' 35' ' ' VAL . 17.2 pt -131.38 142.62 42.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.574 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.54 142.34 34.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -133.48 143.34 48.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.8 p -92.37 -87.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 30' ' ' GLY . 2.2 mt-10 -89.34 20.73 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 62.45 -0.36 0.53 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.673 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 28' ' ' GLU . . . -104.79 -19.02 11.44 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -136.74 136.52 39.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.671 0.272 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 p -107.42 130.42 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.92 HG13 ' H ' ' A' ' 34' ' ' THR . 2.6 p -66.74 -100.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.92 ' H ' HG13 ' A' ' 33' ' ' VAL . 6.1 t -122.12 144.01 49.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.627 0.251 . . . . 0.0 110.569 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 61' ' ' GLU . 63.8 t -99.47 137.11 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.601 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -132.81 106.53 7.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.413 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.59 138.14 36.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 5.0 mt-10 -49.89 109.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.497 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -78.17 -16.48 57.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' CG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -74.84 -45.94 39.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.759 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.878 ' OE1' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -75.12 -23.47 57.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.542 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 73.7 m -81.55 -18.4 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -32.62 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.591 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.9 -34.38 26.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.533 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -24.49 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.97 -32.15 79.03 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -65.52 -26.83 68.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.471 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.76 -21.2 32.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.494 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.729 HG22 HD21 ' A' ' 72' ' ' LEU . 69.1 p -91.75 -44.14 9.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.519 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.06 -20.01 51.95 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -86.41 156.31 56.67 Favored Pre-proline 0 C--N 1.33 -0.265 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -39.51 158.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 122.355 2.036 . . . . 0.0 111.753 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.85 -54.52 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.411 0 C-N-CA 122.348 2.032 . . . . 0.0 112.053 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -45.37 -47.14 13.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.494 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -43.98 -51.88 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 59' ' ' MET . 56.9 t -56.73 -51.16 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.504 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -46.05 -53.33 10.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.52 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.3 -16.24 63.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.471 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.586 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -82.0 -51.93 7.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.749 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.2 p -76.16 -11.09 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.658 ' HG2' HG11 ' A' ' 35' ' ' VAL . 1.2 tm-20 -80.25 -55.19 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.451 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.99 -49.89 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.446 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -50.07 -59.69 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.63 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.82 0.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.722 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.486 ' NH1' ' OE1' ' A' ' 61' ' ' GLU . 13.8 ttm-85 -70.07 -32.87 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.624 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ALA . 3.4 m -106.0 -7.16 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.554 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 49.43 87.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.2 -149.43 4.97 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.528 ' O ' ' CD1' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -132.8 154.9 49.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.669 0.271 . . . . 0.0 110.622 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.586 HG21 ' SD ' ' A' ' 59' ' ' MET . 13.1 t -129.98 146.65 33.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.698 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.52 ' OD2' ' CH2' ' A' ' 69' ' ' TRP . 1.0 OUTLIER -131.19 113.28 13.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.313 179.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.729 HD21 HG22 ' A' ' 49' ' ' THR . 2.4 mp -67.75 -58.86 3.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.584 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -75.14 47.88 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.636 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -172.67 -23.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.418 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 56.31 66.17 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.76 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -137.61 138.27 39.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.7 mt -135.33 96.25 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.579 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 174.33 5.92 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 80' ' ' GLN . 3.1 p -102.27 157.13 4.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.576 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' GLY . 3.9 tt0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.525 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.67 0.272 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.36 138.53 46.61 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 C-N-CA 122.622 2.215 . . . . 0.0 111.936 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 44.3 p -124.9 143.63 50.75 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.542 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.88 146.05 31.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.616 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -99.05 151.39 21.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.44 ' N ' ' CD ' ' B' ' 7' ' ' GLU . 4.3 mm-40 -110.39 175.41 5.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.34 86.1 1.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.531 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.618 HG12 ' N ' ' B' ' 10' ' ' ARG . 58.3 t -81.4 164.85 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.503 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.618 ' N ' HG12 ' B' ' 9' ' ' VAL . 13.9 ttm180 -137.57 123.31 19.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.663 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.74 105.8 19.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 16' ' ' ALA . 16.1 m -99.25 151.23 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.717 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.97 95.32 2.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.59 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.423 HG22 ' N ' ' B' ' 15' ' ' VAL . 2.8 p -154.18 154.09 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.423 ' N ' HG22 ' B' ' 14' ' ' VAL . 0.2 OUTLIER -140.22 107.73 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.82 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.74 169.54 2.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.54 166.14 26.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -96.97 -169.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.62 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -149.28 154.26 38.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.654 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.764 HG11 HG21 ' B' ' 60' ' ' VAL . 8.4 p -132.1 155.05 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.637 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.445 ' N ' HG22 ' B' ' 20' ' ' VAL . 18.6 t -105.42 115.74 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.438 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.64 143.82 16.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.353 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -109.61 127.75 54.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.618 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -133.33 124.32 48.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.457 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.656 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -101.97 134.69 44.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.582 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -133.41 126.31 30.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.6 p -76.66 -179.15 5.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -88.33 20.67 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.588 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -117.11 26.5 9.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.719 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 54.75 11.83 3.14 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -99.58 145.85 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.508 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.552 ' O ' HG13 ' B' ' 32' ' ' VAL . 9.8 p -107.57 120.8 59.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.493 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.945 HG13 ' H ' ' B' ' 34' ' ' THR . 2.4 p -61.54 -96.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.945 ' H ' HG13 ' B' ' 33' ' ' VAL . 6.6 m -146.86 136.54 23.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.782 0.325 . . . . 0.0 110.691 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.447 ' H ' HG12 ' B' ' 35' ' ' VAL . 0.9 OUTLIER -79.34 130.85 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.451 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -132.59 99.12 4.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.592 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.66 136.85 39.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -41.77 120.13 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.434 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -76.26 -10.12 59.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -75.57 -64.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.718 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 8.6 mt-10 -61.33 -46.41 90.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.584 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 93.8 m -53.94 -36.91 63.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.559 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -80.37 -50.6 9.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.391 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -56.48 -26.07 53.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.489 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 26.9 mt -74.05 -44.11 50.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.545 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' B' ' 50' ' ' GLY . . . -54.98 -22.9 29.5 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -77.06 -34.13 57.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 110.613 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -83.5 -25.43 31.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.575 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -100.03 -37.38 9.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' B' ' 46' ' ' GLY . . . 102.42 -26.88 22.67 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.2 mm -60.36 132.43 90.57 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.43 ' O ' HG23 ' B' ' 56' ' ' VAL . 80.6 Cg_exo -39.93 157.41 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.223 0 C-N-CA 121.795 1.663 . . . . 0.0 111.795 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.52 -57.04 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.265 1.977 . . . . 0.0 112.128 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -45.48 -56.84 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.456 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -46.77 -59.25 3.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.705 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 52' ' ' PRO . 83.8 t -48.09 -49.92 11.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.634 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -51.04 -30.98 17.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 110.673 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.81 -24.05 33.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.586 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' B' ' 59' ' ' MET . 7.5 tmm? -74.64 -56.63 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.764 HG21 HG11 ' B' ' 20' ' ' VAL . 4.0 p -64.53 -34.61 70.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.755 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' B' ' 62' ' ' ALA . 4.6 tm-20 -57.97 -60.31 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.352 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.442 ' N ' ' CD ' ' B' ' 61' ' ' GLU . . . -48.95 -31.74 7.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.169 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -70.01 -27.02 64.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.445 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 61' ' ' GLU . . . -74.69 -21.76 59.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.323 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -79.32 -38.52 35.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.771 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.64 -25.74 3.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 66.44 102.51 0.02 OUTLIER Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.04 -162.03 25.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -108.54 163.28 13.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.765 0.317 . . . . 0.0 110.457 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.6 t -144.83 133.7 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.33 112.87 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.078 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.524 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 tp -71.36 -41.81 69.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.599 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.93 32.12 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.192 0.52 . . . . 0.0 110.901 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' B' ' 72' ' ' LEU . 23.4 tt0 -173.03 -18.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.418 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 ttp85 63.72 47.19 3.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' B' ' 74' ' ' GLU . 0.6 OUTLIER -103.77 165.83 10.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.619 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 7.6 mt -144.45 102.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . 0.433 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 3.7 mmtm -99.37 164.36 12.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.528 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.538 HG12 ' H ' ' B' ' 80' ' ' GLN . 0.7 OUTLIER -101.49 -152.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.396 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.538 ' H ' HG12 ' B' ' 79' ' ' VAL . 5.4 pt20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.704 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.662 0.268 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -83.37 95.16 0.8 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.703 2.269 . . . . 0.0 112.086 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.71 155.61 18.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.693 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -166.34 147.06 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.515 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -87.64 153.11 21.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.524 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -124.28 151.28 44.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -113.96 115.04 27.01 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.683 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.08 167.4 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.473 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -129.4 128.06 42.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.592 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.0 t -123.78 138.13 54.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 12' ' ' VAL . 32.6 m -118.63 95.98 4.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.713 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.483 ' H ' ' CD ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -109.86 95.27 5.49 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.478 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 15' ' ' VAL . 74.6 t -153.65 153.49 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.9 p -140.34 111.22 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.501 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 15' ' ' VAL . . . 169.31 155.98 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 173.74 174.36 40.62 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -77.3 -168.19 1.07 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.773 0.32 . . . . 0.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -135.27 146.52 48.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.419 HG11 HG21 ' A' ' 60' ' ' VAL . 94.0 t -134.04 142.85 40.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.68 143.23 31.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 t -143.02 137.92 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.485 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -107.43 118.01 35.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.641 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.47 HD11 ' HB1' ' A' ' 64' ' ' ALA . 96.5 mt -115.13 121.53 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.29 120.9 41.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.724 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.64 168.76 9.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.561 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.48 ' C ' ' H ' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -135.75 -87.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 30' ' ' GLY . 5.8 mm-40 -75.47 25.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' THR . 11.9 tt0 50.15 14.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 28' ' ' GLU . . . -145.53 4.09 1.23 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -138.21 136.13 36.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.747 0.308 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 32' ' ' VAL . 2.8 p -107.49 93.88 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.578 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.718 HG23 ' H ' ' A' ' 34' ' ' THR . 34.3 m -52.67 -59.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.718 ' H ' HG23 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -151.16 163.47 38.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.755 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.9 m -144.35 119.13 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.513 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.1 155.3 17.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.57 147.87 45.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.489 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.3 mm-40 -57.46 116.01 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.482 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 1.004 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 34.5 p90 -80.64 -17.96 49.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.482 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 1.004 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 3.4 m-20 -77.66 -64.36 1.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.645 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -57.8 -31.81 66.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 22.3 m -66.26 -45.61 79.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.676 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' GLY . 6.4 ttm180 -78.21 -50.02 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -42.91 -33.64 0.82 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.513 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.6 mt -84.88 -31.12 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.601 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -46.51 -29.02 3.73 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -73.71 -30.83 63.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.876 0.37 . . . . 0.0 110.592 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' ILE . 51.5 mm-40 -82.65 -16.64 47.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.519 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.6 p -93.6 -50.16 5.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.593 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.45 18.64 54.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.45 155.89 71.16 Favored Pre-proline 0 N--CA 1.463 0.218 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -34.99 99.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 123.027 2.485 . . . . 0.0 112.285 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.0 -15.16 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.195 1.93 . . . . 0.0 111.933 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -67.47 -56.36 9.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.456 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -45.99 -53.7 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.692 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.5 t -43.91 -54.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.642 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -49.36 -40.52 35.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.461 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.99 -26.41 36.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.441 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -72.32 -56.18 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.667 HG13 ' N ' ' A' ' 61' ' ' GLU . 8.8 p -52.49 -53.98 17.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.441 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.667 ' N ' HG13 ' A' ' 60' ' ' VAL . 63.5 mt-10 -43.46 -48.63 7.26 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.252 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 65' ' ' ARG . . . -50.42 -47.98 56.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.254 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.594 ' HB1' ' HA2' ' A' ' 68' ' ' GLY . . . -43.86 -62.81 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.381 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.47 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -52.12 -20.53 2.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.619 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 62' ' ' ALA . 23.6 ttm-85 -84.64 -28.07 26.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.973 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.677 ' O ' HG22 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -121.68 14.66 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.718 -179.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.63 ' CA ' HG13 ' A' ' 79' ' ' VAL . . . 133.74 -107.94 0.71 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.594 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 169.04 67.93 0.03 OUTLIER Glycine 0 CA--C 1.532 1.148 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.533 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.447 ' HB3' ' H ' ' A' ' 78' ' ' LYS . 0.9 OUTLIER -161.38 135.01 6.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.631 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.424 HG21 ' SD ' ' A' ' 59' ' ' MET . 2.6 t -142.89 135.95 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.268 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 76' ' ' GLU . 1.1 m-20 -120.59 113.83 20.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.219 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.494 HD22 ' OE1' ' B' ' 13' ' ' GLN . 5.1 mp -82.79 -53.12 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -70.59 7.81 1.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.4 mt-10 -141.8 -10.07 0.91 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.679 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.3 mtm180 50.13 59.51 4.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.485 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' O ' ' OD2' ' A' ' 71' ' ' ASP . 3.6 mm-40 -138.14 156.67 47.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.498 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.1 mt -131.53 131.83 62.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' H ' ' HB3' ' A' ' 69' ' ' TRP . 1.2 mttm -138.06 -177.64 4.92 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.587 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 66' ' ' VAL . 45.1 t -110.14 -82.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.891 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.591 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.607 0.242 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -51.75 167.44 0.43 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.641 2.227 . . . . 0.0 112.154 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -167.4 154.47 8.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -147.53 135.9 21.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -77.48 145.25 37.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.571 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -134.93 132.05 38.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.526 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' B' ' 8' ' ' ASP . 0.2 OUTLIER -96.6 156.84 16.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.65 145.83 34.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.47 123.32 44.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.633 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -113.79 115.04 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 m -122.7 136.11 60.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.494 ' OE1' HD22 ' A' ' 72' ' ' LEU . 1.9 mt-30 -141.48 97.3 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.402 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.467 HG22 ' N ' ' B' ' 15' ' ' VAL . 7.3 p -153.39 155.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.64 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 2.3 p -138.16 144.39 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.506 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' B' ' 15' ' ' VAL . . . 77.05 159.67 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.586 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -166.14 -62.66 0.03 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -134.36 -171.87 2.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.543 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -142.43 138.92 31.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.712 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.556 HG13 ' CD ' ' B' ' 41' ' ' GLU . 95.1 t -136.36 141.63 40.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.28 152.8 19.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.589 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 t -136.1 165.09 30.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.365 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -133.9 120.05 19.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.407 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.409 HG23 HG22 ' B' ' 35' ' ' VAL . 1.3 mt -132.19 151.36 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.99 107.47 6.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.534 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -84.43 162.27 20.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.568 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 70.4 p -137.14 -61.68 0.65 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' B' ' 29' ' ' GLU . 28.4 mt-10 -82.39 0.29 42.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' B' ' 28' ' ' GLU . 8.5 tt0 77.2 18.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -155.16 -38.54 0.02 OUTLIER Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.17 149.33 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.722 0.296 . . . . 0.0 110.64 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.645 ' O ' HG13 ' B' ' 32' ' ' VAL . 13.2 p -107.54 111.43 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.729 HG13 ' H ' ' B' ' 34' ' ' THR . 7.5 p -52.78 -59.6 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.952 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.729 ' H ' HG13 ' B' ' 33' ' ' VAL . 98.7 m -151.38 163.32 39.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.737 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.588 ' N ' HG22 ' B' ' 34' ' ' THR . 89.3 t -136.01 135.23 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.523 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -132.88 87.61 2.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.479 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.13 147.99 51.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.635 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.18 106.49 0.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -71.2 -17.09 62.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.738 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.6 -64.2 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.556 ' CD ' HG13 ' B' ' 20' ' ' VAL . 1.5 pp20? -54.56 -26.94 35.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . 0.421 ' SG ' ' OE2' ' B' ' 41' ' ' GLU . 1.3 m -75.19 -43.26 53.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.712 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -66.79 -44.9 80.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.579 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' B' ' 44' ' ' GLU . 0.4 OUTLIER -67.66 -37.69 82.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.547 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' B' ' 41' ' ' GLU . 1.4 mm -63.28 -55.26 24.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.34 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -47.69 -18.86 0.73 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -81.36 -41.65 21.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.692 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.91 4.8 24.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.642 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 29.1 p -130.83 -40.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.655 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.28 -25.53 27.4 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 8.8 mm -55.47 128.86 68.8 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.679 ' O ' HG23 ' B' ' 56' ' ' VAL . 72.0 Cg_exo -42.04 157.78 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.749 1.633 . . . . 0.0 111.619 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.23 -54.8 0.15 Allowed 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.322 2.014 . . . . 0.0 112.077 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -51.18 -54.84 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.444 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -51.01 -42.11 60.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.615 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 52' ' ' PRO . 97.1 t -67.92 -47.84 77.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 110.505 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -47.36 -44.61 24.22 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.99 -58.74 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.641 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' B' ' 59' ' ' MET . 10.2 tmm? -44.19 -32.65 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.504 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 48.7 t -82.5 -51.49 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.797 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -56.74 -44.49 81.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.34 97.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.402 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -47.45 -63.45 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.67 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.32 -26.92 32.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.717 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -63.95 -28.7 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.665 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.53 -2.53 6.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.608 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 51.76 95.93 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.46 -172.62 29.05 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -107.61 166.61 10.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.776 0.322 . . . . 0.0 110.622 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.448 HG22 HG23 ' B' ' 77' ' ' ILE . 96.8 t -142.85 133.16 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' B' ' 71' ' ' ASP . 0.2 OUTLIER -109.55 113.02 25.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.501 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.479 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.4 mp -79.65 -54.17 6.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.74 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -58.82 -2.77 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.686 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.6 mt-10 -136.99 -8.91 1.8 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' B' ' 71' ' ' ASP . 5.3 mtt-85 51.99 79.81 0.1 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.89 145.79 28.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.571 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.448 HG23 HG22 ' B' ' 70' ' ' VAL . 16.5 mt -139.25 116.23 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.481 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -137.93 163.55 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -179.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.513 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' ' 2' ' ' VAL . 7.4 p . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.468 0.175 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -82.65 98.21 0.89 Allowed 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.665 2.243 . . . . 0.0 112.259 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.99 175.74 0.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.385 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -167.36 144.11 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.59 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -99.65 153.56 18.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.568 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -127.45 127.03 43.41 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -102.85 95.38 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.775 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.0 t -73.16 124.79 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.497 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -97.42 123.39 41.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.71 107.35 22.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.342 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 12' ' ' VAL . 25.4 m -97.85 103.89 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.763 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.752 ' H ' ' NE2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -113.69 95.35 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.083 0.468 . . . . 0.0 110.347 179.58 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -152.99 151.86 11.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 15' ' ' VAL . 33.8 m -140.44 116.98 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.433 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.651 ' O ' HG12 ' B' ' 12' ' ' VAL . . . 172.64 157.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.725 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.18 -169.52 40.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -83.91 -175.81 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.615 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -146.0 112.6 5.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.612 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.1 t -96.16 140.41 17.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.13 132.05 34.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.645 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 t -142.44 126.62 15.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.614 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -102.35 120.7 40.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.784 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.606 HD11 ' HB1' ' A' ' 64' ' ' ALA . 1.3 mt -124.75 125.35 69.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.486 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.597 ' HB3' HG11 ' A' ' 33' ' ' VAL . . . -98.21 112.28 24.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.99 146.35 30.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.517 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.0 p -105.48 -169.68 1.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.561 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -101.8 9.51 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -96.63 -27.86 14.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.469 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.39 38.15 2.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.19 152.86 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.519 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 32' ' ' VAL . 13.9 p -107.36 128.08 62.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.682 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.97 HG13 ' H ' ' A' ' 34' ' ' THR . 2.4 p -66.97 -95.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.507 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.97 ' H ' HG13 ' A' ' 33' ' ' VAL . 19.7 m -138.87 121.77 16.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.803 0.335 . . . . 0.0 110.585 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.7 m -74.53 146.9 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -132.67 127.14 34.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.475 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -127.76 144.33 51.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 2.7 tt0 -65.11 121.57 15.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.669 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CE1' ' OD1' ' A' ' 40' ' ' ASP . 45.2 p90 -74.12 -14.08 60.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.678 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.576 ' OD1' ' CE1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -76.45 -64.57 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -53.41 -31.62 45.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.518 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 38' ' ' GLU . 92.6 m -66.98 -50.75 61.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.644 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -49.91 36.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.92 -31.42 28.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.664 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -73.78 -40.67 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.384 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.82 -31.29 38.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.73 -20.28 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.63 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -87.12 -36.02 18.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.688 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.2 p -88.39 -50.19 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.473 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.06 33.98 5.83 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.69 155.65 69.36 Favored Pre-proline 0 N--CA 1.464 0.227 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -35.44 99.71 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.892 2.395 . . . . 0.0 112.392 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.2 -23.06 12.31 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.303 2.002 . . . . 0.0 112.017 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -66.57 -52.63 43.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -58.8 -34.89 72.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.507 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' ' 60' ' ' VAL . 48.9 t -52.8 -56.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -51.22 -54.84 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.66 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.6 -39.64 84.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.489 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 59' ' ' MET . 8.5 tmm? -64.03 -45.01 90.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.427 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.534 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 95.8 t -60.25 -64.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.665 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -43.4 -56.71 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.7 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.99 -33.96 1.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.417 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 60' ' ' VAL . . . -68.35 -58.51 4.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.729 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.606 ' HB1' HD11 ' A' ' 24' ' ' ILE . . . -49.04 -20.46 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.635 ' HE ' ' CA ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -78.99 -41.9 27.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.916 -179.704 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.14 -6.44 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.878 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 156.11 -94.48 0.14 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.514 ' HA2' ' HB1' ' A' ' 63' ' ' ALA . . . 150.96 72.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.227 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.403 ' CD1' ' C ' ' A' ' 69' ' ' TRP . 8.5 t-105 -160.34 135.97 8.24 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.7 t -148.04 146.06 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 111.177 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -123.71 112.41 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.782 179.224 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.477 ' C ' ' N ' ' A' ' 74' ' ' GLU . 7.6 mp -77.63 -22.52 50.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.609 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -47.82 -13.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' N ' ' C ' ' A' ' 72' ' ' LEU . 1.8 tm-20 -173.75 14.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.3 ttt180 57.12 97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.642 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -145.99 117.29 7.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.1 mm -84.02 103.95 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -113.24 165.46 12.39 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.163 0.506 . . . . 0.0 110.671 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.11 143.06 25.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.219 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.232 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.492 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 111.582 0.216 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -83.42 137.83 8.3 Favored 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.646 2.23 . . . . 0.0 112.174 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 82.5 p -97.24 147.57 23.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.489 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -139.5 139.57 36.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.695 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -100.56 145.64 28.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.606 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -117.83 128.81 55.21 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.509 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.402 ' OD2' ' N ' ' B' ' 8' ' ' ASP . 3.9 m-20 -100.17 88.69 3.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.659 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.24 126.65 23.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.495 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -101.69 123.3 45.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.773 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 17.4 t -112.08 106.33 20.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.626 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 16' ' ' ALA . 2.4 m -103.06 142.1 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.593 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -145.04 94.42 2.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.308 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.4 152.2 9.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.662 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.559 ' O ' ' HB2' ' B' ' 16' ' ' ALA . 1.0 OUTLIER -139.58 106.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.601 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' B' ' 15' ' ' VAL . . . 169.62 147.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.16 -166.36 31.47 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -77.45 -177.18 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.738 0.304 . . . . 0.0 110.624 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -151.36 119.68 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.707 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.422 HG22 ' N ' ' B' ' 21' ' ' SER . 7.2 p -104.46 153.54 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.422 ' N ' HG22 ' B' ' 20' ' ' VAL . 45.0 t -102.86 125.76 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.491 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.05 142.45 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.587 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -102.67 129.71 49.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.556 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.778 HD11 ' HB1' ' B' ' 64' ' ' ALA . 6.8 mt -135.35 127.37 46.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.3 104.22 15.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -100.66 128.91 46.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.592 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' B' ' 28' ' ' GLU . 3.4 t -88.62 -169.3 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.569 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.519 ' N ' ' OG1' ' B' ' 27' ' ' THR . 3.3 tp10 -80.06 26.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.402 ' H ' HG23 ' B' ' 27' ' ' THR . 1.0 OUTLIER -124.75 15.7 8.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.623 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.87 17.32 1.46 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -102.92 159.41 15.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.775 0.321 . . . . 0.0 110.502 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.709 ' O ' HG13 ' B' ' 32' ' ' VAL . 7.4 p -107.51 96.74 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.502 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.417 ' H ' HG22 ' B' ' 33' ' ' VAL . 0.0 OUTLIER -52.2 -59.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.719 -179.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.23 163.5 38.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.709 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 1.7 m -136.23 141.93 40.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.379 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -131.47 98.41 4.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.669 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.6 158.54 29.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.569 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -83.76 122.17 28.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.476 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 0.67 ' CE1' ' OD1' ' B' ' 40' ' ' ASP . 32.6 p90 -77.64 -9.52 59.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.638 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.67 ' OD1' ' CE1' ' B' ' 39' ' ' PHE . 14.5 m-20 -77.68 -64.48 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.542 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' B' ' 41' ' ' GLU . 12.1 mt-10 -57.36 -35.77 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.602 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -46.31 90.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.497 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -71.8 -34.3 69.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.54 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.58 -54.74 31.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.521 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.416 ' C ' ' N ' ' B' ' 47' ' ' GLU . 85.8 mt -68.73 -28.54 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.628 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -46.42 -18.96 0.38 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' B' ' 45' ' ' ILE . 0.5 OUTLIER -77.64 -42.43 34.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.757 0.313 . . . . 0.0 110.506 -179.833 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.53 -22.51 66.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.655 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.651 HG22 HD21 ' B' ' 72' ' ' LEU . 19.5 p -84.69 -50.08 7.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.64 -9.97 68.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.2 156.33 35.39 Favored Pre-proline 0 C--N 1.329 -0.319 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.357 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -38.85 158.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.213 1.942 . . . . 0.0 111.806 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -71.94 -49.03 0.33 Allowed 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.249 1.966 . . . . 0.0 112.056 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -47.64 -54.71 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.528 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -44.53 -38.36 4.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.573 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.26 -54.19 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.649 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -45.98 -41.3 11.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.597 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.93 91.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.626 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.554 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -69.44 -42.1 75.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.766 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 68.2 t -73.45 -30.91 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.662 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.48 -57.83 5.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.484 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.64 57.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -55.5 -62.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.778 ' HB1' HD11 ' B' ' 24' ' ' ILE . . . -43.37 -33.81 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.608 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -60.79 -44.0 97.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.463 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -1.72 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.51 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 46.1 96.36 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.57 -174.89 33.95 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -104.68 160.32 15.06 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.029 0.442 . . . . 0.0 110.406 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.554 HG21 ' SD ' ' B' ' 59' ' ' MET . 22.3 t -137.47 148.88 25.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.6 113.06 20.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.365 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.651 HD21 HG22 ' B' ' 49' ' ' THR . 1.3 mp -67.83 -61.04 2.06 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.694 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -75.45 49.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.604 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -177.88 -23.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.508 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 57.16 75.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.654 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -138.06 159.19 42.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.467 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 27.4 mt -138.27 103.64 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.667 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . 0.445 ' CB ' ' CE3' ' B' ' 69' ' ' TRP . 2.8 mmtm -97.67 158.67 15.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.481 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 13.1 t -101.12 141.42 17.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.637 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.542 0.21 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.24 108.25 1.53 Allowed 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.573 2.182 . . . . 0.0 112.294 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.84 153.25 38.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -138.37 120.97 16.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.673 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -86.56 136.83 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -110.3 128.97 55.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.487 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.487 ' OD1' ' NH1' ' B' ' 19' ' ' ARG . 2.0 m-20 -101.66 100.1 10.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.639 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 9' ' ' VAL . 1.6 t -79.99 160.68 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.562 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ttm105 -134.94 122.98 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.637 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -112.54 111.26 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.431 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.12 148.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.749 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.03 95.55 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.37 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.23 148.4 22.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.586 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 p -108.8 144.47 17.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.515 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.02 159.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.43 -92.1 0.33 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -70.49 169.03 14.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.773 0.321 . . . . 0.0 110.646 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.34 115.31 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.525 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 21' ' ' SER . 46.0 t -95.08 158.4 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.508 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.489 ' N ' HG12 ' A' ' 20' ' ' VAL . 16.2 t -127.62 120.99 29.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.691 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 23' ' ' LYS . 43.8 t -110.07 157.39 10.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.441 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.466 ' N ' HG12 ' A' ' 22' ' ' VAL . 46.5 mttp -132.64 110.72 10.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.451 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -99.16 141.58 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.604 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.92 101.77 12.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -95.26 134.32 38.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.501 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.55 -61.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.611 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -94.75 18.14 12.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.513 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 54.52 14.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.512 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -130.1 -44.43 0.18 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.35 149.17 27.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.704 ' O ' HG13 ' A' ' 32' ' ' VAL . 8.1 p -107.38 97.57 5.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.449 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 34' ' ' THR . 7.2 p -49.15 -56.74 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.682 ' N ' HG13 ' A' ' 33' ' ' VAL . 3.4 m -151.28 157.55 42.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.816 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.45 148.55 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.356 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -132.93 114.6 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.531 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.09 149.47 21.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.538 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -64.92 99.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.719 ' CZ ' ' OD2' ' A' ' 40' ' ' ASP . 24.7 p90 -58.6 -41.22 85.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.6 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.719 ' OD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -46.89 -56.31 6.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.648 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HG3' HG22 ' A' ' 20' ' ' VAL . 4.4 tm-20 -56.93 -60.07 4.12 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.138 0.494 . . . . 0.0 110.492 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.437 ' N ' ' CD ' ' A' ' 41' ' ' GLU . 4.5 m -41.16 -38.09 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.974 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -38.8 29.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.698 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -66.72 -60.78 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.3 mm -49.81 -31.89 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.424 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.61 -19.08 18.23 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -84.02 -39.05 20.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.555 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 3.0 mm-40 -74.0 -24.72 59.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.539 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -84.98 -49.6 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.462 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.45 15.72 42.77 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.5 156.87 69.85 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -39.85 144.91 0.31 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.304 2.003 . . . . 0.0 111.928 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.7 -5.15 15.76 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.252 1.968 . . . . 0.0 112.456 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -57.04 4.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.359 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.01 -23.05 30.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.711 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 t -83.04 -52.4 13.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.641 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' C ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -45.53 -52.06 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.373 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.15 -56.14 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.698 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 59' ' ' MET . 11.3 tmm? -41.29 -51.48 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 90.6 t -63.36 -51.78 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -53.35 -48.82 68.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.421 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.68 -37.4 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.485 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -59.93 -63.31 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.514 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.13 -21.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -73.51 -47.26 42.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.704 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -106.82 2.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.805 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 63' ' ' ALA . . . 45.47 97.95 0.01 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.85 -148.54 5.22 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.592 ' CD1' ' N ' ' A' ' 69' ' ' TRP . 0.0 OUTLIER -133.58 161.38 34.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.571 0.224 . . . . 0.0 110.534 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.91 154.05 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.98 0.419 . . . . 0.0 110.845 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.49 112.31 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.078 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 74' ' ' GLU . 2.5 mp -74.86 1.04 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.965 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -40.83 -26.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.489 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' LEU . 20.2 pt-20 -173.39 30.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.337 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 60.64 79.46 0.24 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.646 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -151.43 150.24 30.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.93 121.35 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.17 132.58 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -89.12 -163.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.637 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.544 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.533 0.3 0 CA-C-O 120.578 0.228 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -51.1 145.18 26.44 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.437 2.091 . . . . 0.0 112.179 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.6 p -132.69 126.3 32.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.454 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.1 140.27 38.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.552 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -99.18 136.67 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.41 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.77 167.07 11.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.54 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -138.39 143.96 40.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.557 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.91 117.95 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.45 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -89.89 146.27 24.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.21 130.17 51.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.533 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.712 HG23 ' O ' ' B' ' 12' ' ' VAL . 32.3 m -134.12 98.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.701 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -105.15 94.72 5.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.228 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.406 HG12 ' N ' ' B' ' 15' ' ' VAL . 91.6 t -152.14 152.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.583 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.591 ' O ' HG23 ' B' ' 15' ' ' VAL . 27.8 m -121.69 118.75 56.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.443 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.17 173.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.72 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 140.57 159.57 7.98 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -98.57 -168.57 1.66 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.825 0.345 . . . . 0.0 110.448 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.487 ' NH1' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -145.68 154.39 42.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.539 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.476 HG11 HG11 ' B' ' 60' ' ' VAL . 51.5 t -134.27 148.1 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.348 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -102.12 141.02 35.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.521 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 5.8 t -139.33 126.13 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.569 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -101.26 111.43 23.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.65 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.583 HG23 HG12 ' B' ' 35' ' ' VAL . 0.3 OUTLIER -118.03 137.78 50.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.444 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.586 ' O ' HG12 ' B' ' 33' ' ' VAL . . . -99.67 117.4 33.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -107.15 141.92 37.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.522 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p -96.63 -165.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -88.39 -48.18 7.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.619 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' B' ' 29' ' ' GLU . 1.9 mp0 -48.75 -23.77 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.562 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.63 19.49 17.73 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -101.37 155.85 17.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.445 ' O ' HG13 ' B' ' 32' ' ' VAL . 8.7 p -107.55 127.69 63.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.427 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.92 HG13 ' H ' ' B' ' 34' ' ' THR . 2.5 p -75.49 -97.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.92 ' H ' HG13 ' B' ' 33' ' ' VAL . 2.2 m -134.72 143.5 47.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.54 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.583 HG12 HG23 ' B' ' 24' ' ' ILE . 3.2 m -98.59 136.61 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.581 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.7 96.49 3.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.653 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.69 142.98 38.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -61.71 106.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.537 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' PHE . . . . . 1.058 ' HD1' ' NH1' ' B' ' 43' ' ' ARG . 47.0 p90 -65.0 -4.41 4.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.579 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' B' ' 40' ' ' ASP . 2.6 m-20 -76.83 -64.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.661 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.59 -25.53 68.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.642 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -40.65 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.636 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 1.058 ' NH1' ' HD1' ' B' ' 39' ' ' PHE . 6.2 ttm-85 -65.88 -56.43 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.94 -25.57 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.2 mm -76.86 -24.65 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.459 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.42 -24.14 61.18 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.426 ' OE2' ' N ' ' B' ' 47' ' ' GLU . 4.7 mp0 -79.05 -20.13 49.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.527 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -87.19 -36.07 18.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.66 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 53.6 p -84.94 -46.74 10.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.472 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.43 -21.78 39.9 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.32 156.42 62.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -38.79 157.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.43 0 C-N-CA 122.37 2.047 . . . . 0.0 111.863 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.48 -56.15 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.345 2.03 . . . . 0.0 112.11 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -43.9 -52.07 7.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.592 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.01 -42.9 18.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.632 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 38.3 t -65.89 -42.61 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -59.45 -40.83 88.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 110.776 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.11 -59.96 2.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.638 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' MET . . . . . 0.488 ' SD ' HG21 ' B' ' 70' ' ' VAL . 0.0 OUTLIER -51.71 -43.84 62.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.476 HG11 HG11 ' B' ' 20' ' ' VAL . 59.3 t -72.61 -39.35 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.76 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.16 -54.87 42.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.884 0.373 . . . . 0.0 110.355 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.78 -51.06 54.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.482 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -43.75 -55.07 4.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.616 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.71 -30.34 21.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.538 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -72.17 -31.56 66.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.784 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.5 m -103.78 -9.81 9.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.712 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 63' ' ' ALA . . . 54.29 81.3 0.06 OUTLIER Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.422 ' C ' ' CE3' ' B' ' 69' ' ' TRP . . . -161.31 -174.92 31.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' TRP . . . . . 0.556 ' CD2' ' N ' ' B' ' 69' ' ' TRP . 0.0 OUTLIER -105.98 170.09 8.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 110.494 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' B' ' 59' ' ' MET . 8.0 t -140.02 140.66 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.53 113.09 25.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.438 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' B' ' 74' ' ' GLU . 1.3 mp -72.14 -51.44 21.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.537 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -74.32 34.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' B' ' 72' ' ' LEU . 2.3 mm-40 -170.59 -10.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.541 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.445 ' H ' ' H ' ' B' ' 74' ' ' GLU . 28.0 mtt85 48.21 80.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.88 0.371 . . . . 0.0 110.635 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -145.55 161.61 39.37 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.474 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -133.22 76.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.487 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 113.38 1.02 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.626 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' B' ' 80' ' ' GLN . 1.3 p -100.66 142.62 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.516 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.424 ' CB ' ' O ' ' B' ' 79' ' ' VAL . 2.1 tt0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.614 179.947 . . . . . . . . 1 1 . 1 stop_ save_