data_2lel_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2lel _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.676 0.274 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 m -154.21 110.98 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -102.94 109.81 21.5 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.942 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -61.26 96.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 111.072 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -69.68 159.7 32.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.941 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -76.63 -18.01 58.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.429 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -82.44 15.26 2.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.05 -21.48 5.74 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -79.38 -172.32 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.489 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -162.91 123.72 2.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.75 156.19 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -140.97 117.15 10.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.88 156.38 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.171 0.51 . . . . 0.0 111.349 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -100.12 -162.96 0.99 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.152 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -73.22 -30.22 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.71 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 25' ' ' LYS . 40.9 t0 -77.65 15.67 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.089 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.59 -10.99 1.28 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 23' ' ' ASP . 35.5 mmtm -63.95 145.57 55.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 10.7 mtt -81.21 177.4 9.04 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 111.152 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.1 110.23 0.44 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.0 tpt -79.71 87.45 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.426 . . . . 0.0 111.112 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -108.47 112.82 25.42 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.138 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.704 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -71.88 148.11 46.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.886 0.374 . . . . 0.0 110.661 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -66.11 -4.99 8.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.208 -179.521 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.637 ' N ' HD21 ' A' ' 30' ' ' ASN . 15.0 t80 -80.46 18.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.701 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.56 24.47 72.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.704 ' H ' HD22 ' A' ' 30' ' ' ASN . 93.8 mttt -139.14 176.75 8.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 110.285 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 m -107.58 156.96 18.46 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.64 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.6 mmm -135.67 112.77 10.41 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.733 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.544 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.69 92.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 -179.519 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.475 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 15.1 ttm -90.8 127.9 50.33 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.55 129.96 18.75 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.436 1.424 . . . . 0.0 112.102 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 4.1 tm-20 -43.77 137.27 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.917 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.466 ' N ' ' OE2' ' A' ' 40' ' ' GLU . . . 99.68 -14.8 60.3 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.781 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -69.14 81.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.541 0.686 . . . . 0.0 109.551 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 t -40.96 123.59 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.683 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.7 mtm -107.05 137.96 44.14 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -118.84 122.69 42.95 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.818 0.342 . . . . 0.0 111.054 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -75.61 169.57 17.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.604 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -61.87 -37.32 84.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.291 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -72.53 -6.32 43.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.395 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.07 31.72 22.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 m -88.43 116.4 26.63 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.857 0.36 . . . . 0.0 110.145 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -75.34 114.53 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 pt -134.27 117.9 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.561 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.495 ' O ' ' SD ' ' A' ' 26' ' ' MET . 67.8 mt -86.32 142.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.01 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 tpt -65.58 82.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.668 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -68.28 -67.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.195 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.404 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -74.61 77.59 1.07 Allowed Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.816 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -70.89 -8.4 52.57 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.8 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -77.91 76.71 4.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.235 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.9 pt -70.93 -12.24 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.723 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -51.0 -28.99 11.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -52.94 -47.92 67.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.699 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.091 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.722 0.296 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 m -154.19 110.93 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.766 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -103.4 115.38 30.43 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.929 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.01 93.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.42 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 1.6 mp -69.51 160.39 31.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.221 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -78.9 -17.2 55.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.516 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 16' ' ' SER . 5.4 m-20 -82.5 15.35 2.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.79 -12.12 12.15 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 14' ' ' ASP . 6.0 m -77.82 -178.27 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.499 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -152.01 123.53 7.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.099 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -78.7 152.88 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.993 0.425 . . . . 0.0 110.03 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -142.94 117.08 9.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -96.27 147.43 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 120.994 0.426 . . . . 0.0 111.067 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -86.93 -166.43 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.613 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -77.4 -20.95 53.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -77.61 -0.02 24.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.461 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.94 -15.79 41.16 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -64.25 144.53 57.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.424 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 6.4 mtt -78.07 -173.7 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.055 0.455 . . . . 0.0 110.337 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.33 122.07 1.08 Allowed Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 tpt -87.76 80.69 7.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 0.0 110.97 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -106.88 111.56 24.12 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.374 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 32' ' ' PHE . 14.4 p30 -71.52 163.24 28.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.706 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' H ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -85.3 1.46 48.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.704 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.499 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 9.7 t80 -80.44 8.34 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.677 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.52 14.48 78.18 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 9.8 mtpm? -138.89 -179.76 6.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.736 0.303 . . . . 0.0 110.2 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.5 m -106.34 170.79 7.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.003 0.43 . . . . 0.0 110.804 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.9 mmt -142.21 113.54 7.7 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.674 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -68.56 94.92 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.37 -179.162 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 44.3 ttm -102.99 125.35 35.57 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.34 158.33 54.63 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.54 1.493 . . . . 0.0 111.966 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -70.28 107.98 3.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.92 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.75 -19.09 2.76 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -72.4 76.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.3 t -41.48 124.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.103 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 30.9 mtm -106.34 137.95 43.4 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -116.4 122.73 45.69 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.832 0.348 . . . . 0.0 110.843 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.2 p -80.73 160.35 24.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.725 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 12' ' ' LEU . 68.5 mtt85 -54.01 -38.2 64.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.458 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -68.96 -5.83 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.347 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.8 32.39 30.03 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.7 m -93.24 116.44 29.01 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.697 0.284 . . . . 0.0 110.411 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -76.71 116.69 17.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.502 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 pt -132.85 124.62 50.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.629 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.8 mt -86.84 145.39 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.759 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 tpt -69.22 82.34 0.35 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -72.73 -70.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.107 0.479 . . . . 0.0 110.503 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.424 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.47 77.35 0.13 Allowed Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.435 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.3 t-20 -74.78 -4.27 36.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.414 . . . . 0.0 110.19 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -83.84 70.92 10.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.404 HG21 HD12 ' A' ' 59' ' ' ILE . 13.9 pt -67.32 -22.4 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.62 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -53.62 -29.09 36.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -53.87 -41.17 67.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.525 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.736 0.303 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.5 m -154.29 111.02 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.813 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -102.35 119.51 38.94 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -70.67 97.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.003 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.51 153.0 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.17 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -79.02 -9.25 59.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.198 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -83.86 7.61 17.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.298 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.36 -19.56 39.04 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.5 m -90.8 -166.76 1.65 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.761 0.315 . . . . 0.0 110.536 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -162.82 137.06 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.266 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.65 157.67 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -142.31 117.21 9.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.79 152.05 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.906 0.384 . . . . 0.0 110.96 -178.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -92.34 -167.03 1.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.207 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.32 -14.67 59.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.555 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.48 0.45 52.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.759 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.13 -17.74 35.84 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -64.21 145.87 55.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.9 mtt -80.08 -178.54 6.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.78 109.54 0.41 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.4 tpt -81.68 89.19 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 111.212 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -103.85 104.49 14.49 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.196 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.67 ' ND2' ' H ' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -70.8 138.53 50.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.646 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -55.89 -2.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' H ' ' C ' ' A' ' 30' ' ' ASN . 7.9 t80 -80.31 4.65 17.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.824 0.345 . . . . 0.0 110.551 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.3 25.34 68.66 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.67 ' H ' ' ND2' ' A' ' 30' ' ' ASN . 51.5 mtpt -139.21 166.21 25.13 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.489 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 m -93.54 121.56 35.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.467 ' SD ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -93.38 124.72 37.56 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.215 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.7 OUTLIER -78.37 88.48 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.541 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.0 ttm -93.02 114.48 62.8 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.197 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -47.3 147.22 6.03 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.709 1.606 . . . . 0.0 111.662 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 6.5 pt-20 -70.32 114.85 8.86 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.935 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . 124.29 -17.7 7.44 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -64.75 77.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.536 0.684 . . . . 0.0 109.516 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' GLY . 12.9 t -39.69 129.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.866 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.8 mtm -111.58 139.06 47.33 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -111.23 122.77 48.74 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.944 0.402 . . . . 0.0 111.297 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.7 p -80.2 173.97 12.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.57 -38.25 83.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.184 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -73.22 -2.83 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.433 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.4 35.87 25.14 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.9 m -91.55 124.38 35.67 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.297 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -82.27 108.61 15.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.437 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.85 123.42 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.593 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' A' ' 55' ' ' LYS . 50.4 mt -91.53 133.08 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.5 tpt -58.67 80.18 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 53' ' ' ILE . 33.0 ttpt -70.84 -66.69 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.514 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' A' ' 58' ' ' GLU . . . -67.41 62.13 0.27 Allowed Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.553 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.3 t-20 -64.51 -4.16 3.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.01 0.433 . . . . 0.0 109.883 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 60' ' ' PHE . 17.4 pt-20 -85.01 54.15 2.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.351 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 59' ' ' ILE . 13.7 pt -46.48 -13.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.5 ' H ' ' C ' ' A' ' 58' ' ' GLU . 90.4 m-85 -49.09 -29.08 4.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.547 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -53.02 -50.08 64.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.76 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.141 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 m -154.3 110.7 3.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.945 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -103.02 121.84 43.39 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.13 97.41 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.367 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.42 163.17 23.86 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.9 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -78.73 -18.5 54.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.51 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 16' ' ' SER . 37.3 t70 -83.94 16.84 2.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.438 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.26 -11.15 9.08 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.418 ' H ' ' C ' ' A' ' 14' ' ' ASP . 8.7 t -75.15 -179.0 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.544 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -151.77 124.7 8.57 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.197 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -84.26 155.72 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -142.98 117.54 9.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.51 151.66 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.024 0.44 . . . . 0.0 110.986 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -93.7 -174.46 3.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.953 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.51 -20.6 62.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.438 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -77.67 -0.43 26.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.121 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 -14.52 43.94 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.77 145.5 55.91 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.418 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 2.1 mtm -80.0 -172.38 3.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.06 0.457 . . . . 0.0 110.613 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.16 120.7 0.96 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.5 tpt -87.76 87.04 7.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 110.854 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -107.31 104.64 14.29 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.332 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.739 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -66.52 179.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.6 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -10.69 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.056 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.25 11.56 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.91 2.89 40.75 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.739 ' H ' HD22 ' A' ' 30' ' ' ASN . 67.2 mmtt -102.2 -177.91 3.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.771 0.319 . . . . 0.0 110.341 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -116.96 120.38 38.22 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.391 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.2 mmt -91.13 115.83 28.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.346 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.479 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.7 OUTLIER -65.86 92.09 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.447 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 34.2 ttm -98.31 116.63 65.48 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.963 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.3 155.29 0.41 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.799 1.666 . . . . 0.0 112.139 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -79.74 87.31 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.353 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.45 -9.97 0.6 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -73.17 79.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.511 0.672 . . . . 0.0 109.868 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.8 t -36.87 129.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.876 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.8 mtm -114.13 134.35 54.95 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -114.46 122.86 47.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.815 0.34 . . . . 0.0 111.237 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.3 p -77.37 170.63 16.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.673 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -65.65 -38.24 88.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.47 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.6 -1.89 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.19 40.74 13.06 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -100.37 120.34 39.8 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.782 0.325 . . . . 0.0 110.232 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -81.26 108.59 15.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.037 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 pt -125.77 125.53 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.0 mm -89.45 145.6 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.6 tpt -69.36 77.78 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -71.73 -62.72 1.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.144 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 58' ' ' GLU . . . -70.41 48.43 0.73 Allowed Glycine 0 CA--C 1.526 0.764 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.665 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -53.36 -12.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.185 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' A' ' 60' ' ' PHE . 17.9 mm-40 -78.9 52.7 1.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.626 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.5 pt -49.36 -12.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.676 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.495 ' H ' ' C ' ' A' ' 58' ' ' GLU . 59.7 t80 -49.09 -29.1 4.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.758 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -53.94 -50.29 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.952 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.243 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.714 0.292 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.5 m -154.19 110.74 3.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.764 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -101.36 105.51 16.57 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.584 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.47 ' OD2' ' NZ ' ' A' ' 17' ' ' LYS . 1.1 m-20 -67.65 85.52 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 111.257 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.44 160.33 5.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.057 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -77.72 -18.96 56.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.549 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -80.39 12.71 2.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.517 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.59 -12.79 26.13 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -74.77 -178.55 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.499 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' NZ ' ' OD2' ' A' ' 11' ' ' ASP . 66.7 mttm -151.54 122.81 7.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -81.08 155.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.137 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -143.01 116.98 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.33 156.37 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.969 0.414 . . . . 0.0 110.703 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -99.63 -162.01 0.92 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.456 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' A' ' 24' ' ' GLY . 65.5 tttm -75.03 -29.93 60.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.723 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 25' ' ' LYS . 38.1 t0 -77.7 16.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 22' ' ' LYS . . . 67.79 -9.13 1.47 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 23' ' ' ASP . 41.7 mmtt -64.21 145.37 56.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.492 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 7.2 mtt -80.59 178.4 8.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.348 0.594 . . . . 0.0 111.231 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.51 125.86 1.84 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 tpt -93.09 83.82 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 111.821 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 17' ' ' LYS . 69.6 tt0 -110.25 109.07 19.4 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.75 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.77 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -59.68 -166.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.795 -179.266 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -25.77 35.8 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.323 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 32' ' ' PHE . 39.3 t80 -84.67 18.61 2.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.798 0.332 . . . . 0.0 110.677 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.32 2.66 15.39 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.77 ' H ' HD22 ' A' ' 30' ' ' ASN . 9.8 ttmm -81.83 133.04 35.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.292 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -82.51 112.3 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mtp -93.57 112.73 24.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.867 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.538 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -64.68 92.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.645 -179.079 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.4 ttm -98.66 126.25 39.69 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.96 157.88 58.55 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.549 1.499 . . . . 0.0 112.082 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -71.37 100.34 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.829 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.73 -19.5 1.13 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -72.3 84.36 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.446 0.641 . . . . 0.0 109.764 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.4 t -44.71 123.58 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.207 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.1 mtm -103.18 153.39 20.39 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -136.93 126.43 25.15 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.999 0.428 . . . . 0.0 111.502 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.5 p -74.99 165.74 24.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.707 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.452 ' NH1' ' OD1' ' A' ' 48' ' ' ASP . 39.9 ptt85 -53.95 -38.2 64.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.336 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.452 ' OD1' ' NH1' ' A' ' 47' ' ' ARG . 61.1 m-20 -68.63 -44.73 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.306 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 127.32 34.05 0.59 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 m -84.84 135.6 34.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.33 . . . . 0.0 110.199 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -88.18 108.65 19.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.11 118.69 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.715 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' LYS . 12.2 mm -85.55 145.34 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.194 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.19 75.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' ILE . 3.1 tppp? -63.31 -74.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.03 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.492 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.18 77.34 0.12 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.088 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -69.95 -4.09 19.06 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -82.7 74.52 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.244 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.0 pt -73.21 -31.03 32.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.318 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 30.3 p90 -49.15 -29.09 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.618 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.427 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 9.2 tpt180 -53.45 -36.22 61.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.28 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.425 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.527 ' NZ ' ' OH ' ' A' ' 10' ' ' TYR . 2.4 tppp? . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.716 0.293 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.2 m -154.19 111.09 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.772 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.527 ' OH ' ' NZ ' ' A' ' 8' ' ' LYS . 55.1 m-85 -107.41 105.55 15.53 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.1 85.36 0.73 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.87 0.367 . . . . 0.0 110.998 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.63 161.87 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.723 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' A' ' 15' ' ' GLY . 1.3 mm100 -79.0 -19.41 51.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.54 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -78.44 13.93 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.44 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . 74.57 -7.18 20.43 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.5 p -74.7 -168.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.432 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -160.4 122.65 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.24 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -95.41 149.14 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 119.16 11.09 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.7 156.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.033 0.444 . . . . 0.0 111.108 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -99.4 -164.16 1.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.372 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -74.83 -24.28 58.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -80.12 12.52 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.609 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.9 -11.48 1.9 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' A' ' 23' ' ' ASP . 36.1 mtmt -66.28 146.03 55.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 8.3 mtt -80.23 -171.22 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.62 112.41 0.52 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 tpt -84.32 109.35 17.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 111.2 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -135.71 126.04 26.56 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.271 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -83.65 172.89 11.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.683 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.35 -7.15 59.11 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -80.62 -4.45 54.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.7 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.48 27.29 39.8 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -139.12 122.16 16.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.413 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 m -55.6 142.91 31.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.6 mtp -117.15 112.78 21.33 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -67.34 88.57 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.148 -179.516 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 42.7 ttm -91.49 125.54 57.49 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.38 136.02 25.61 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.672 1.581 . . . . 0.0 112.002 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.22 127.37 10.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.807 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.34 -21.12 10.14 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -71.31 91.68 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.368 0.604 . . . . 0.0 109.51 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.0 125.03 12.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.17 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.4 mtm -107.24 153.94 21.96 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -136.51 131.23 33.66 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.909 0.385 . . . . 0.0 111.384 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 p -86.0 172.42 10.67 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.625 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -66.01 -38.23 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.225 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -65.8 -10.62 39.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.064 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.9 46.25 6.03 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.2 m -109.94 136.97 48.38 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -90.67 129.18 36.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.71 123.03 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.71 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.496 ' O ' ' SD ' ' A' ' 26' ' ' MET . 13.8 mt -90.78 135.74 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.989 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 tpt -64.65 79.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.161 0.505 . . . . 0.0 110.36 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ILE . 89.8 mttt -73.57 -50.61 20.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.726 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.21 81.53 1.68 Allowed Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.115 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.1 t-20 -78.59 -4.0 46.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -87.3 51.18 2.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.422 HG21 HD11 ' A' ' 59' ' ' ILE . 19.3 pt -45.98 -24.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.734 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -50.0 -28.7 7.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.477 HH21 ' HZ3' ' A' ' 25' ' ' LYS . 17.1 tpp180 -53.0 -50.27 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.7 tp . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.901 0.381 . . . . 0.0 110.154 179.753 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 t -149.28 148.1 29.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.565 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.519 ' O ' ' N ' ' A' ' 12' ' ' LEU . 41.4 m-85 -137.63 96.08 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.944 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.98 87.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.883 0.373 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.1 tp -67.66 152.54 45.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.36 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.59 HE21 ' N ' ' A' ' 14' ' ' ASP . 1.6 pp0? -79.14 -6.65 57.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.351 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.59 ' N ' HE21 ' A' ' 13' ' ' GLN . 21.9 t70 -92.02 9.72 32.05 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.367 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.8 -16.49 31.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -83.55 -172.69 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.296 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -155.96 129.51 8.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.575 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.65 140.64 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CZ ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -133.91 120.48 20.42 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.25 156.44 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.147 0.498 . . . . 0.0 111.499 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 86.5 m-85 -100.43 -163.69 1.05 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.554 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -77.37 -17.75 57.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.335 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -78.49 -4.21 47.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 -4.45 78.0 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -80.8 145.81 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 17.5 mtt -77.99 -175.19 3.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.108 0.48 . . . . 0.0 110.806 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.57 112.28 0.51 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.5 tpt -77.69 140.76 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.039 0.447 . . . . 0.0 111.311 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -156.81 116.02 3.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.128 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.758 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -71.19 158.77 35.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.933 0.397 . . . . 0.0 110.854 -179.589 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 pptp? -47.31 -21.81 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.233 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -80.31 11.13 3.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.76 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.35 2.74 15.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.758 ' H ' HD22 ' A' ' 30' ' ' ASN . 61.5 tttp -88.44 143.18 27.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.552 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -81.01 119.93 24.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -106.52 137.01 45.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.06 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' ND2' HD22 ' A' ' 57' ' ' ASN . 0.7 OUTLIER -79.24 93.19 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.008 -179.588 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.1 ttm -91.67 114.48 62.03 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -48.31 140.46 20.41 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.665 1.577 . . . . 0.0 111.93 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.67 126.19 26.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.957 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . 110.31 -16.01 29.88 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -66.86 72.15 0.09 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.588 0.709 . . . . 0.0 109.316 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 41' ' ' GLY . 20.0 t -35.83 129.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.557 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.4 mtm -113.34 147.04 38.45 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -129.22 122.84 30.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.915 0.388 . . . . 0.0 111.078 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 p -81.52 167.32 19.45 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -53.76 -38.41 64.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.504 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -71.54 0.79 7.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.282 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.6 37.66 61.85 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.5 m -88.94 118.11 28.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.725 0.298 . . . . 0.0 110.401 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -76.5 108.69 9.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 pt -128.32 122.81 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.559 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 55' ' ' LYS . 59.7 mt -91.6 135.84 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.319 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.98 80.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 53' ' ' ILE . 34.0 ttmt -73.23 -63.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.648 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 58' ' ' GLU . . . -68.41 60.33 0.44 Allowed Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.619 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.8 t-20 -60.4 -4.28 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.779 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 56' ' ' GLY . 54.9 mt-10 -85.84 55.09 3.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.329 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 59' ' ' ILE . 11.5 pt -47.6 -12.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.508 ' H ' ' C ' ' A' ' 58' ' ' GLU . 42.2 t80 -48.71 -28.92 3.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.741 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -59.46 -50.25 74.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.963 0.411 . . . . 0.0 110.049 179.775 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.554 ' HZ1' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.61 0.243 . . . . 0.0 110.441 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p -149.84 147.87 28.49 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.273 0.559 . . . . 0.0 110.908 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CD1' ' O ' ' A' ' 9' ' ' THR . 26.9 m-85 -143.67 97.62 3.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.574 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 47' ' ' ARG . 11.9 m-20 -49.9 96.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.404 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.4 144.1 51.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.995 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -65.89 -10.31 37.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.23 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -90.36 12.62 17.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.464 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.89 -18.25 7.91 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.5 p -76.27 -178.01 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 110.535 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 29' ' ' GLU . 36.0 mtpt -149.95 125.3 10.16 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.236 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.78 154.31 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -142.8 117.35 9.74 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.554 ' CG2' ' HZ1' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -96.06 143.11 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 -178.52 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -81.47 -169.01 2.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.741 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -77.24 -19.79 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.477 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.54 1.19 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.392 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.56 -16.27 36.46 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -64.24 145.34 56.16 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.417 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 1.9 mtm -79.9 -176.94 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.655 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.83 118.06 0.81 Allowed Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 tpt -83.08 85.92 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 111.301 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 17' ' ' LYS . 47.5 tt0 -108.75 104.43 13.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.207 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 30' ' ' ASN . 49.8 p30 -72.0 155.02 40.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.354 . . . . 0.0 110.66 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' CD ' ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.29 -5.17 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.955 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -80.45 -4.68 54.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.69 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.57 24.67 60.17 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -139.1 122.11 16.74 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.383 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.5 p -61.04 121.88 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.687 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.2 mtt -94.67 114.66 26.62 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.096 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.479 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -62.07 97.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.442 -179.38 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.516 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 41.8 ttm -107.4 125.65 31.87 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.8 162.16 42.84 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.68 1.587 . . . . 0.0 112.053 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -73.6 111.0 8.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.959 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.88 -16.85 3.69 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -74.4 72.0 1.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.261 0.553 . . . . 0.0 109.516 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 t -37.92 123.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.131 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 32.9 mtm -105.47 137.32 43.49 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -106.71 122.48 46.45 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.43 ' OG1' ' OD1' ' A' ' 48' ' ' ASP . 17.6 p -73.45 178.5 4.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.697 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' ASP . 73.6 ttt180 -73.73 -37.95 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.378 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.43 ' OD1' ' OG1' ' A' ' 46' ' ' THR . 7.8 p30 -72.25 -10.16 59.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.93 40.82 5.78 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.41 ' OG1' ' OD1' ' A' ' 48' ' ' ASP . 41.1 m -103.03 145.44 29.89 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -94.26 121.4 35.73 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.007 0.432 . . . . 0.0 110.942 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -137.71 117.65 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.707 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.582 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 1.4 mp -82.24 145.34 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.428 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.8 tpt -68.06 76.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -67.09 -69.27 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.159 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -67.14 61.31 0.23 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.878 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -60.64 -9.89 4.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.135 0.493 . . . . 0.0 109.709 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.11 73.08 8.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.462 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.1 pt -70.58 -12.3 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -49.92 -29.67 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.498 ' N ' ' CD ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -62.65 -48.15 80.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.09 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HZ2' ' CB ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.851 0.357 . . . . 0.0 110.393 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.9 m -152.75 110.86 3.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -109.29 99.0 8.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.191 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.14 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.08 163.45 28.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.43 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -79.1 -17.63 54.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.53 11.73 3.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.07 -11.55 42.04 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.0 p -87.49 178.88 6.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.752 0.31 . . . . 0.0 110.281 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -146.37 127.59 14.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.469 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -81.45 143.08 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.775 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -138.32 117.31 12.49 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.362 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.02 156.53 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 121.032 0.444 . . . . 0.0 111.522 -178.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -97.16 -166.33 1.38 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.407 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -73.92 -22.8 59.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.683 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -77.62 -4.63 46.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.46 -13.26 62.61 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -68.51 145.24 54.21 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.996 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.471 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 19.3 mtt -81.77 -173.02 4.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 110.961 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.83 130.27 1.45 Allowed Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 93.8 mmm -73.37 155.44 39.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.256 0.55 . . . . 0.0 111.521 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 30' ' ' ASN . 0.4 OUTLIER -157.04 103.76 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.22 178.707 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.762 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -73.88 -177.32 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.266 -179.161 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -68.22 -25.0 64.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.526 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.4 ' C ' ' H ' ' A' ' 34' ' ' LYS . 34.9 m-85 -80.13 15.73 1.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.27 2.66 15.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.762 ' H ' HD22 ' A' ' 30' ' ' ASN . 68.3 mttm -96.42 158.87 15.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.815 0.34 . . . . 0.0 110.32 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 m -82.84 167.58 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.735 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.7 mmt -144.52 112.74 6.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.473 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.672 HD21 ' N ' ' A' ' 38' ' ' MET . 0.1 OUTLIER -52.23 136.43 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.26 -179.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.672 ' N ' HD21 ' A' ' 37' ' ' ASN . 9.1 ttm -145.84 114.43 4.68 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.085 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.05 139.75 33.54 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.651 1.567 . . . . 0.0 112.056 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.83 126.81 28.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.985 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.51 -11.57 35.99 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -72.55 71.39 0.96 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.393 0.616 . . . . 0.0 109.473 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -31.69 131.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.492 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 24.3 mtm -114.12 149.85 34.98 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -127.48 122.48 33.53 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.775 0.322 . . . . 0.0 110.908 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.0 p -79.53 168.1 19.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -55.0 -38.26 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.548 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.72 -1.0 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.172 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 31.23 50.45 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.2 m -84.39 116.39 23.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 110.228 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -77.48 108.6 10.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.47 129.14 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.471 ' O ' ' SD ' ' A' ' 26' ' ' MET . 65.4 mt -89.51 142.36 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.431 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.3 tpt -72.08 87.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.741 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -62.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.814 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.29 80.13 0.88 Allowed Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.423 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.2 t-20 -74.56 -8.91 57.85 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.98 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 58' ' ' GLU . 3.8 mp0 -82.58 70.04 9.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.178 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.0 pt -69.84 -12.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.03 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -49.04 -29.03 4.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.066 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -58.79 -50.4 74.09 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.047 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.896 0.379 . . . . 0.0 109.994 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.779 0.323 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -154.24 110.99 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.766 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -106.51 120.63 42.42 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.822 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.07 91.72 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.798 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.78 153.51 36.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.052 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -75.76 -14.33 60.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.606 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -81.41 12.29 3.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.45 -15.91 27.17 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.564 -1.015 . . . . 0.0 110.564 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.566 ' HG ' ' N ' ' A' ' 17' ' ' LYS . 26.6 t -87.87 -170.23 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.566 ' N ' ' HG ' ' A' ' 16' ' ' SER . 15.7 ptpt -163.09 146.83 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.771 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.88 155.64 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -142.34 118.04 10.44 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.244 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.62 156.65 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 111.312 -178.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -97.54 -162.48 0.96 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.152 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -77.35 -23.0 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.697 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -81.61 7.27 12.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.85 -13.11 14.39 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -64.91 145.54 56.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.49 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 9.9 mtt -80.03 179.48 7.58 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.145 0.498 . . . . 0.0 111.043 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.61 111.93 0.5 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.8 tpt -79.79 133.2 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' O ' ' OG ' ' A' ' 16' ' ' SER . 11.1 pt-20 -155.26 128.6 8.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.131 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.743 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -73.1 -163.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -81.3 -31.38 33.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -80.32 14.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.827 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.04 2.93 27.15 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.743 ' H ' HD22 ' A' ' 30' ' ' ASN . 65.2 mmtt -81.37 122.19 27.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.739 0.304 . . . . 0.0 110.321 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.5 p -62.1 130.1 43.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.734 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.9 mtt -116.75 112.9 21.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.847 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.538 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -61.68 109.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.018 -179.638 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.46 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 30.1 ttm -108.69 124.23 34.93 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.78 144.97 2.09 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 121.523 1.482 . . . . 0.0 112.061 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -74.24 77.82 1.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.233 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.73 -19.07 0.11 Allowed Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.406 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -56.02 129.53 40.22 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.75 116.55 28.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.2 mtm -101.46 139.12 37.56 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -121.07 122.64 40.5 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.721 0.296 . . . . 0.0 110.851 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.1 p -79.63 162.66 25.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -53.69 -38.37 64.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.455 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.7 -5.07 22.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.252 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 30.92 35.07 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -89.74 116.44 27.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.831 0.348 . . . . 0.0 110.245 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -76.3 116.95 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 pt -136.04 118.43 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.672 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.49 ' O ' ' SD ' ' A' ' 26' ' ' MET . 63.7 mt -86.49 145.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.825 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.9 tpt -65.85 83.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.433 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -72.27 -69.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.208 0.528 . . . . 0.0 110.215 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.427 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -69.34 66.18 0.55 Allowed Glycine 0 CA--C 1.525 0.663 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.806 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 38' ' ' MET . 3.8 t-20 -61.87 -6.3 2.65 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.851 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.523 ' OE1' ' NH2' ' A' ' 61' ' ' ARG . 31.4 mt-10 -80.03 74.93 6.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.138 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.43 HG21 HD11 ' A' ' 59' ' ' ILE . 25.0 pt -71.62 -12.34 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.823 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -51.84 -29.13 18.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.622 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.523 ' NH2' ' OE1' ' A' ' 58' ' ' GLU . 11.5 mpt_? -61.33 -50.25 73.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.427 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 tp . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.262 -179.861 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 121.004 0.431 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.4 m -154.04 110.71 3.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.295 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -108.36 109.59 20.94 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.922 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.43 93.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.973 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 mp -71.51 160.5 32.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.089 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -75.97 -18.07 59.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.451 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -81.31 13.92 2.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.35 -11.2 13.41 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 p -80.12 -176.7 5.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.828 0.346 . . . . 0.0 110.552 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -151.05 126.24 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.388 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -81.52 152.31 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -142.85 117.16 9.59 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.35 156.55 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 121.343 0.592 . . . . 0.0 111.924 -178.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 94.2 m-85 -97.8 -166.14 1.34 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.498 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -77.41 -19.97 55.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.298 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -78.46 -4.39 48.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.02 -17.8 48.82 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -64.27 145.01 56.71 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 12.8 mtt -78.25 -167.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.59 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.49 115.8 0.68 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.1 tpt -87.47 145.49 26.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.208 0.528 . . . . 0.0 111.602 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -156.11 117.96 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.617 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.763 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -61.46 155.75 21.05 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.667 -179.427 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -5.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.402 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.545 ' H ' ' C ' ' A' ' 30' ' ' ASN . 4.0 t80 -93.5 15.34 16.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.492 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.31 2.87 16.18 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.763 ' H ' HD22 ' A' ' 30' ' ' ASN . 5.2 ttpm? -95.55 164.45 12.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.384 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.0 p -75.58 144.08 42.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.706 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttt -129.54 115.28 17.21 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.827 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.455 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.7 OUTLIER -68.61 98.48 0.89 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.237 -179.468 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.4 ttm -106.95 115.45 60.22 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.926 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -43.89 151.63 0.43 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.919 1.746 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -76.93 83.39 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.326 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.31 -12.0 0.33 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -70.8 96.44 1.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.435 0.636 . . . . 0.0 109.598 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -52.89 130.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.481 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 30.4 mtm -112.99 134.34 54.54 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -114.02 122.69 47.7 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.4 p -80.27 161.7 24.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -54.51 -38.18 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.19 -0.68 10.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.81 39.01 34.94 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -98.93 117.99 34.69 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.811 0.339 . . . . 0.0 110.236 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -76.78 119.43 20.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 pt -137.31 126.89 36.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.541 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.506 ' O ' ' SD ' ' A' ' 26' ' ' MET . 6.4 mm -89.86 145.24 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.953 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.5 tpt -69.35 79.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.691 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -68.47 -55.82 10.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.779 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.59 74.56 2.24 Favored Glycine 0 CA--C 1.523 0.536 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.08 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.2 t-20 -74.39 -5.45 42.45 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.323 -0.551 . . . . 0.0 109.595 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -86.74 52.12 2.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.868 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.421 HG23 HD13 ' A' ' 59' ' ' ILE . 12.3 pt -45.89 -23.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.849 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -49.0 -28.52 3.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.607 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -53.06 -50.35 64.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.336 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.332 -0.172 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.738 -179.73 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 120.833 0.349 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 m -154.04 110.82 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.648 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -96.34 104.77 16.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.745 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -71.03 87.39 0.75 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.082 0.468 . . . . 0.0 110.814 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -55.24 147.93 15.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.803 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -71.7 -16.74 62.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.06 14.73 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.14 -14.25 15.98 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -68.25 -168.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.684 0.278 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -162.74 122.88 2.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.577 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.68 148.12 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -143.03 116.85 9.31 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.41 156.61 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 121.077 0.465 . . . . 0.0 111.483 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 64.0 m-85 -98.47 -164.96 1.19 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.538 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -77.31 -19.3 56.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -77.64 -4.44 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.72 -5.44 81.88 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -76.36 145.24 39.61 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 21.4 mtt -82.91 -169.73 2.65 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.061 0.457 . . . . 0.0 111.229 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.2 126.82 1.13 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 86.7 mmm -77.91 141.33 39.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.399 . . . . 0.0 111.506 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' CD ' ' CD2' ' A' ' 62' ' ' LEU . 15.9 mm-40 -147.69 104.09 3.57 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 34' ' ' LYS . 36.1 p-10 -76.94 175.06 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.147 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -54.58 -33.96 61.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.977 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -80.04 12.61 2.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.59 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.39 2.98 17.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 16.1 mtpp -82.16 145.37 30.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 p -79.06 135.92 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.99 114.51 28.68 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -64.35 88.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.964 -179.302 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.53 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 36.1 ttm -104.4 123.43 40.52 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -76.16 163.05 33.39 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.794 1.663 . . . . 0.0 111.935 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -69.49 128.25 35.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 -23.55 7.92 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -70.97 101.9 2.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.282 0.563 . . . . 0.0 109.679 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -66.96 125.16 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.229 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 29.4 mtm -104.56 152.66 22.14 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -134.13 123.24 24.08 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.924 0.392 . . . . 0.0 111.559 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.0 p -65.6 178.65 0.95 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.572 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -67.2 -35.6 79.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.416 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 49' ' ' GLY . 3.1 p30 -73.71 -43.01 60.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.405 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 48' ' ' ASP . . . 129.43 39.23 0.3 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -87.41 135.79 33.19 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -91.68 119.06 31.21 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.5 125.6 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.903 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.405 ' O ' ' SD ' ' A' ' 26' ' ' MET . 12.1 mm -89.04 145.69 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.834 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 11.3 tpt -73.7 88.86 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.201 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -80.09 -46.89 15.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.408 ' O ' ' CE ' ' A' ' 54' ' ' MET . . . -87.84 71.63 2.57 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.538 -178.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.9 t-20 -72.89 -14.72 61.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 60' ' ' PHE . 63.2 mt-10 -78.4 54.45 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.223 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.7 pt -46.03 -19.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.411 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.425 ' N ' ' C ' ' A' ' 58' ' ' GLU . 61.7 t80 -49.17 -28.51 4.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.461 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -52.64 -50.2 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.798 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.423 ' CD2' ' CD ' ' A' ' 29' ' ' GLU . 21.6 tp . . . . . 0 C--N 1.332 -0.195 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.103 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.712 0.292 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.5 m -154.35 110.65 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -103.71 115.52 30.64 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.68 98.58 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.374 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -69.09 163.38 24.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.921 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.94 -18.65 53.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 16' ' ' SER . 70.9 m-20 -83.48 16.75 2.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.566 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.49 -15.33 7.51 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 14' ' ' ASP . 92.2 p -74.36 174.8 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.445 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -146.48 123.58 11.46 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 t -79.86 156.12 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.12 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -143.37 117.24 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.23 153.48 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.093 0.473 . . . . 0.0 110.886 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -96.21 -165.96 1.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.339 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -76.96 -18.02 58.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.421 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.33 1.8 35.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.84 -16.55 26.15 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -64.11 146.0 54.96 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.3 mtt -79.35 -172.77 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.301 0.572 . . . . 0.0 111.219 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.94 113.52 0.57 Allowed Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 tpt -85.51 84.38 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 111.261 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -104.75 104.61 14.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.171 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.678 ' ND2' ' H ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -64.24 160.93 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.727 -179.686 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -10.05 56.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.883 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.551 ' N ' HD21 ' A' ' 30' ' ' ASN . 15.7 t80 -80.09 11.45 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.755 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.32 32.63 82.56 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.678 ' H ' ' ND2' ' A' ' 30' ' ' ASN . 65.7 mttm -139.14 161.54 37.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -90.38 119.06 30.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.623 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -95.9 112.66 24.33 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.189 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.7 OUTLIER -65.17 105.23 1.04 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.777 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.405 ' N ' HD21 ' A' ' 37' ' ' ASN . 29.9 ttm -108.7 122.93 38.65 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.916 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.36 144.92 4.17 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.538 1.492 . . . . 0.0 111.799 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -74.06 80.7 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.19 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.37 -15.66 0.16 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.559 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -58.3 129.89 44.12 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 t -83.01 113.5 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.658 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.0 mtm -98.04 135.09 40.23 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -118.63 122.52 42.75 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 110.995 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.2 p -75.88 176.8 7.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -67.76 -38.32 83.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -71.51 -6.32 39.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.201 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.75 32.52 15.01 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.5 m -90.24 116.3 28.11 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.854 0.359 . . . . 0.0 110.199 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -78.73 108.71 12.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.71 124.19 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.006 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.5 ' O ' ' SD ' ' A' ' 26' ' ' MET . 11.8 mm -87.91 145.89 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.01 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.8 tpt -71.84 84.29 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.559 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -75.44 -53.96 7.82 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.418 0.628 . . . . 0.0 110.349 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.9 63.48 2.78 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.908 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.6 t-20 -71.0 -4.15 23.28 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.808 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.478 ' C ' ' H ' ' A' ' 60' ' ' PHE . 55.6 mt-10 -85.8 48.0 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.384 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 pt -46.01 -15.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.766 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.478 ' H ' ' C ' ' A' ' 58' ' ' GLU . 54.5 t80 -49.22 -29.12 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -60.82 -50.01 75.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.196 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptt . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 m -146.76 147.32 30.8 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.897 0.38 . . . . 0.0 110.84 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -140.54 98.11 3.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.072 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.71 95.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.218 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.94 161.1 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.068 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -78.91 -16.0 57.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.462 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -83.01 12.97 4.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.25 -12.72 30.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.1 p -84.71 -179.66 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.292 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -148.87 127.63 12.53 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.282 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.82 152.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.525 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -142.69 117.4 9.83 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.708 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.27 156.73 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 121.059 0.457 . . . . 0.0 110.832 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.96 -163.38 1.04 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.132 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -25.02 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.811 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 1.7 p-10 -81.1 6.56 13.33 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.93 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.38 -14.4 34.86 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 121.2 -0.524 . . . . 0.0 111.988 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -64.07 145.77 55.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.079 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.8 mtt -81.52 -179.75 7.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.828 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.01 132.26 3.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.281 -1.127 . . . . 0.0 110.281 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.8 tpt -112.62 112.36 23.82 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.792 0.33 . . . . 0.0 111.148 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -145.35 110.12 5.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.988 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -58.48 173.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.885 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -8.18 59.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.905 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -80.22 5.13 15.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.459 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.26 2.91 74.96 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -105.04 122.14 45.26 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.301 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.6 p -59.86 133.94 56.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.0 mmm -108.93 112.46 24.7 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.518 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -73.33 86.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.467 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 41.6 ttm -86.84 123.05 71.12 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.91 135.35 21.16 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.745 1.63 . . . . 0.0 111.981 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -46.78 127.56 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.648 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.05 -20.46 9.8 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -70.89 74.22 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.4 0.619 . . . . 0.0 109.644 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.5 t -36.63 121.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.565 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 46.2 mtm -104.58 141.06 37.09 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -125.83 122.58 36.53 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.773 0.321 . . . . 0.0 110.886 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.6 p -79.69 162.95 24.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -53.72 -38.24 64.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.349 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -69.42 -4.76 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.87 30.48 35.26 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.2 m -86.7 116.32 24.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.704 0.287 . . . . 0.0 110.378 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -77.77 108.62 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.384 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -126.31 120.49 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.847 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.504 ' O ' ' SD ' ' A' ' 26' ' ' MET . 6.3 mm -84.06 145.53 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.833 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.44 81.19 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.084 0.469 . . . . 0.0 109.801 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -72.04 -76.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.095 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -59.98 72.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.598 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.7 t-20 -70.79 -4.43 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 109.895 179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -81.81 67.24 7.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 30.9 pt -61.66 -12.33 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.715 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.37 -29.17 65.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -55.72 -50.03 71.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 110.14 179.882 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.8 m -154.19 110.87 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.423 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -107.81 102.47 11.68 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.845 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.41 86.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.078 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.35 162.5 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.492 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.04 -21.19 47.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.327 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 16' ' ' SER . 69.8 m-20 -79.23 14.93 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.69 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.9 -15.58 10.03 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 14' ' ' ASP . 58.0 p -71.56 177.82 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.678 0.275 . . . . 0.0 110.389 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -151.64 122.99 7.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.892 0.377 . . . . 0.0 110.502 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.44 148.71 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.32 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.539 ' HE2' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -142.52 117.4 9.93 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.205 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -83.44 156.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.534 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.79 -170.33 1.74 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.5 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -65.26 -24.86 67.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.638 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.519 ' CG ' HH22 ' A' ' 61' ' ' ARG . 1.4 m-20 -79.08 14.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.625 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.89 3.11 2.24 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 23' ' ' ASP . 87.3 mttt -82.19 145.47 30.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 10.2 mtt -78.47 178.78 7.48 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.407 0.622 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.48 119.38 0.96 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.41 ' H ' HG23 ' A' ' 59' ' ' ILE . 10.3 tpt -87.69 121.0 29.57 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.963 0.411 . . . . 0.0 111.162 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.475 ' OE2' ' N ' ' A' ' 30' ' ' ASN . 9.9 tp10 -144.25 130.1 19.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.745 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.475 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 37.9 p-10 -79.23 -166.41 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.014 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -80.74 -30.6 36.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -80.17 17.14 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.611 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.45 2.93 17.2 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 52.5 tttp -83.65 126.45 32.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.816 0.341 . . . . 0.0 110.418 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.6 m -65.69 124.49 22.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 48.5 mmm -104.51 112.74 25.93 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.523 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -67.15 88.07 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.303 -179.304 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 46.3 ttm -91.83 125.34 57.58 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.79 135.38 19.42 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.834 1.689 . . . . 0.0 112.065 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -46.25 124.94 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.99 -20.23 7.66 Favored Glycine 0 N--CA 1.467 0.735 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -72.83 80.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.482 0.658 . . . . 0.0 109.748 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.8 t -41.5 122.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.401 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 61.2 mtm -103.7 151.64 22.75 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -137.15 126.94 25.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.221 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.6 p -74.8 171.12 14.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.823 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -64.37 -30.46 71.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 49' ' ' GLY . 2.8 p30 -73.21 -44.18 60.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.284 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 48' ' ' ASP . . . 128.7 38.08 0.37 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.417 ' OG1' ' OD1' ' A' ' 48' ' ' ASP . 4.8 m -96.36 129.82 43.61 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -87.07 108.65 18.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.6 122.63 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.629 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' SD ' ' A' ' 26' ' ' MET . 12.8 mm -87.93 144.28 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.069 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.6 tpt -68.51 78.59 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.499 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.75 -73.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.039 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.443 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -64.19 86.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.902 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.2 t-20 -74.89 -4.05 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.654 179.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 58' ' ' GLU . 25.3 mp0 -83.57 78.44 9.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.043 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.41 HG23 ' H ' ' A' ' 28' ' ' MET . 18.6 pt -71.09 -24.42 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.237 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -49.14 -28.94 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.798 0.332 . . . . 0.0 110.382 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.519 HH22 ' CG ' ' A' ' 23' ' ' ASP . 3.5 tpt180 -56.28 -29.06 60.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.546 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.539 ' CD2' ' HE2' ' A' ' 19' ' ' HIS . 16.2 mt . . . . . 0 C--N 1.332 -0.18 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.633 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.764 0.316 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.55 147.78 28.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.108 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -138.33 102.38 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.883 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -68.34 98.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.725 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mp -70.33 166.7 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.161 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.471 ' C ' ' H ' ' A' ' 15' ' ' GLY . 33.7 mm-40 -78.82 -22.78 45.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.521 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.92 10.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.512 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . 80.83 -10.31 47.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -83.96 -169.15 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.359 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -160.49 132.68 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.441 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -83.67 151.99 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -143.06 117.32 9.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.18 156.34 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.008 0.433 . . . . 0.0 111.27 -179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -94.86 -166.59 1.49 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.603 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -77.43 -21.52 52.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.516 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.58 -4.63 46.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.738 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.37 -16.32 59.2 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -65.9 144.83 56.55 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.87 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.441 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 8.3 mtt -77.4 -174.29 3.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.035 0.445 . . . . 0.0 110.57 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.59 125.14 1.44 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.5 tpt -90.26 81.53 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -105.57 104.57 14.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.284 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.2 p30 -71.83 160.27 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.694 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' H ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -74.59 -1.11 20.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.736 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.11 -4.85 56.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.526 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.21 7.27 87.95 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -122.24 122.05 38.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.825 0.345 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.7 m -59.68 129.77 43.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.529 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.5 mmt -101.91 130.37 48.39 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.049 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -82.35 89.08 6.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.203 -179.385 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 41.8 ttm -95.36 124.19 54.28 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.66 149.24 73.41 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.458 1.439 . . . . 0.0 111.941 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.46 103.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.943 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.81 -16.42 2.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -71.56 100.69 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.333 0.587 . . . . 0.0 109.611 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.5 t -49.28 124.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.953 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 58.0 mtm -108.78 132.61 53.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -122.85 123.72 41.63 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.955 0.407 . . . . 0.0 111.514 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.1 p -84.24 162.21 20.24 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.018 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 mtp-105 -59.53 -38.33 80.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.385 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -65.08 -6.8 9.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.088 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.39 34.2 20.68 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.0 m -97.69 116.33 29.69 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -79.69 108.62 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.632 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pt -119.81 149.1 22.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.567 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.2 mm -107.18 145.47 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.5 tpt -70.66 83.72 0.62 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -72.08 -70.63 0.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.607 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.441 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.96 84.45 0.11 Allowed Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.811 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.3 t-20 -76.49 -4.19 41.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -83.32 75.51 9.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.412 HG22 HD12 ' A' ' 59' ' ' ILE . 13.6 pt -73.27 -33.35 40.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.015 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 32.2 p90 -49.22 -28.85 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.623 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 8.2 tpm_? -53.09 -40.43 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.556 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.798 0.333 . . . . 0.0 110.456 179.843 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? . . . . . 0 N--CA 1.464 0.256 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HZ3' ' A' ' 17' ' ' LYS . 40.2 m -154.28 124.5 6.88 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.876 0.369 . . . . 0.0 111.683 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -116.41 91.18 3.51 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -55.06 96.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.835 0.35 . . . . 0.0 110.221 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.408 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 1.1 mp -63.44 164.9 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.433 ' NE2' ' CD ' ' A' ' 45' ' ' GLU . 3.7 pt20 -78.93 -14.42 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.703 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.426 ' OD2' ' OG ' ' A' ' 16' ' ' SER . 1.1 p-10 -97.63 19.06 14.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.47 -19.4 7.11 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.426 ' OG ' ' OD2' ' A' ' 14' ' ' ASP . 26.9 m -63.4 165.91 7.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.691 0.281 . . . . 0.0 110.354 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.523 ' O ' ' CE1' ' A' ' 19' ' ' HIS . 13.4 mtpp -136.46 122.9 20.75 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -87.06 152.16 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.84 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -143.26 116.92 9.22 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.506 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -107.06 138.64 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.664 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CD1' ' NE ' ' A' ' 61' ' ' ARG . 28.9 m-85 -88.6 171.77 9.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.273 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' C ' ' H ' ' A' ' 24' ' ' GLY . 61.2 tttp -55.61 -20.4 13.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.66 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' A' ' 25' ' ' LYS . 3.5 m-20 -77.5 10.11 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.005 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 22' ' ' LYS . . . 69.34 -13.14 1.13 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 23' ' ' ASP . 20.1 mmmt -64.02 145.05 56.57 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 5.5 mtt -88.77 -176.35 5.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.328 0.585 . . . . 0.0 111.129 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.47 -172.89 13.49 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 tpt -170.48 134.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.872 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 33' ' ' GLY . 31.8 tt0 -155.25 115.5 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.547 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.434 ' C ' ' N ' ' A' ' 32' ' ' PHE . 30.9 p30 -63.44 160.27 16.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -15.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.643 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 30' ' ' ASN . 92.4 m-85 -80.28 3.9 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' OE2' ' A' ' 29' ' ' GLU . . . 69.4 2.98 37.08 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -95.49 139.52 31.65 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.508 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -63.6 110.64 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.42 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -87.17 112.69 22.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.496 -179.749 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.507 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -62.01 85.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.373 179.679 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.2 ttm -90.58 124.21 63.16 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.29 139.52 35.25 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.319 1.346 . . . . 0.0 111.73 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.37 100.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.945 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.35 -24.38 0.77 Allowed Glycine 0 CA--C 1.525 0.696 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.306 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -67.35 137.01 55.68 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.151 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.8 t -83.9 124.92 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.899 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.64 145.91 27.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' CD ' ' NE2' ' A' ' 13' ' ' GLN . 63.7 tt0 -136.59 122.6 20.2 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.603 -178.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 p -84.07 165.29 18.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.773 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 12' ' ' LEU . 63.8 mtt85 -64.52 -38.37 90.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.199 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.18 -8.01 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.186 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.99 46.28 6.74 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.7 m -111.21 123.75 50.82 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HZ1' ' CB ' ' A' ' 51' ' ' LYS . 2.9 ttmp? -80.12 128.31 33.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.157 0.503 . . . . 0.0 110.609 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -136.86 139.64 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.059 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.5 ' O ' ' SD ' ' A' ' 26' ' ' MET . 26.0 mm -107.04 141.54 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.401 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 6.9 tpt -63.1 89.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.602 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -80.9 -59.9 2.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.966 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.412 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -79.01 87.85 1.17 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.9 t-20 -72.26 -13.93 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.677 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.525 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 48.7 mt-10 -82.65 64.98 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.382 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.22 -11.98 15.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.928 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -48.72 -28.89 3.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.454 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.525 ' NH1' ' O ' ' A' ' 58' ' ' GLU . 21.1 ptt-85 -63.73 -32.52 74.05 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.769 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.997 0.427 . . . . 0.0 109.895 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.2 tptt . . . . . 0 N--CA 1.465 0.283 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 4.3 t -154.72 148.24 25.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.068 0.461 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 9' ' ' THR . 14.4 m-85 -141.59 108.69 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.638 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.65 97.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.8 0.333 . . . . 0.0 110.957 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.34 154.42 41.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.943 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.496 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 20.8 t70 -84.44 12.94 6.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.535 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.07 -23.51 5.97 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 m -81.67 -168.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -162.95 146.62 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.6 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -103.29 127.65 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.071 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER -117.66 117.28 28.94 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.752 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.73 151.43 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.241 0.543 . . . . 0.0 112.046 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -92.63 -165.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -77.39 -16.33 58.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.383 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -78.46 -4.46 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.39 -8.94 65.91 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -75.82 145.76 40.41 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.52 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 36.3 mtt -86.2 -167.97 2.06 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -178.46 111.92 0.35 Allowed Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 84.4 mmm -58.92 155.69 12.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.031 0.443 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -157.19 103.67 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.835 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 34' ' ' LYS . 34.6 p30 -84.09 153.0 24.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.773 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.465 ' CD ' ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -62.68 -4.5 2.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.754 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.414 ' H ' ' C ' ' A' ' 30' ' ' ASN . 14.4 t80 -80.51 13.73 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.655 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.8 12.51 64.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' O ' ' OD1' ' A' ' 30' ' ' ASN . 68.8 mmtt -131.85 175.04 9.54 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.831 0.348 . . . . 0.0 110.272 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.479 ' OG ' ' N ' ' A' ' 36' ' ' MET . 11.3 t -91.05 177.47 6.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.479 ' N ' ' OG ' ' A' ' 35' ' ' SER . 6.5 mmt -142.14 122.68 14.13 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.537 HD21 ' N ' ' A' ' 38' ' ' MET . 1.2 t-20 -64.77 123.76 20.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.593 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.537 ' N ' HD21 ' A' ' 37' ' ' ASN . 38.9 ttm -136.88 121.69 12.68 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.462 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.31 136.77 16.24 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.659 1.573 . . . . 0.0 111.79 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.2 127.57 10.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.21 -24.56 6.94 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -69.92 99.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.327 0.584 . . . . 0.0 109.777 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 t -61.99 124.9 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.0 mtm -106.94 137.1 45.64 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -107.48 122.34 46.44 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.735 0.302 . . . . 0.0 110.945 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.2 p -79.11 165.29 23.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.46 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -54.34 -35.22 62.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.498 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -79.34 -4.07 49.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.429 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.23 31.9 36.84 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.5 m -85.38 132.2 34.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.771 0.319 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -83.44 117.26 22.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.94 0.4 . . . . 0.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -134.04 125.07 47.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.462 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.52 ' O ' ' SD ' ' A' ' 26' ' ' MET . 7.4 mm -91.19 138.32 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.749 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 10.6 tpt -65.98 105.72 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.065 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -96.58 -44.26 7.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.424 ' O ' ' CE ' ' A' ' 54' ' ' MET . . . -90.89 75.47 1.61 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.265 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.2 t-20 -70.26 -14.91 62.81 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.616 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' A' ' 60' ' ' PHE . 50.4 mt-10 -80.05 55.77 2.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.155 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.402 HD12 HG22 ' A' ' 59' ' ' ILE . 7.6 pt -46.39 -12.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.014 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.52 ' H ' ' C ' ' A' ' 58' ' ' GLU . 95.6 m-85 -48.98 -29.04 4.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.65 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -57.75 -50.14 74.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.751 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.401 . . . . 0.0 110.416 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.741 0.305 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m -154.14 110.82 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.491 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -103.94 110.27 22.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.031 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.16 96.36 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 0.0 111.015 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.13 161.8 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.038 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -78.96 -17.41 55.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.588 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -81.81 14.06 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.433 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.29 -9.79 25.16 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 p -80.61 -176.83 5.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.773 0.32 . . . . 0.0 110.45 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -152.24 123.26 7.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.212 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.22 153.52 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.669 -0.412 . . . . 0.0 109.934 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -143.04 116.96 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -91.5 156.83 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.976 0.417 . . . . 0.0 110.726 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -102.69 -165.53 1.19 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.341 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -71.73 -26.06 62.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.634 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.503 ' C ' ' H ' ' A' ' 25' ' ' LYS . 4.0 m-20 -79.29 11.07 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.54 -11.54 2.27 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 23' ' ' ASP . 34.8 mtmt -64.23 145.59 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 8.1 mtt -80.38 176.46 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.437 0.637 . . . . 0.0 111.107 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.66 124.02 1.65 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.6 tpt -91.75 78.87 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 111.266 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -99.45 104.56 16.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.26 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.697 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -67.78 160.75 27.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.872 0.368 . . . . 0.0 110.715 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -2.44 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -80.31 13.53 2.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.48 25.19 72.62 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.697 ' H ' HD22 ' A' ' 30' ' ' ASN . 98.4 mttt -139.06 169.23 18.16 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.813 0.339 . . . . 0.0 110.391 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.58 ' HG ' ' CD1' ' A' ' 62' ' ' LEU . 19.7 t -98.6 124.01 43.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -97.24 112.59 24.33 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.522 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -69.46 87.9 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.514 -179.269 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 39.1 ttm -91.13 125.03 59.94 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.57 134.52 22.45 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.564 1.509 . . . . 0.0 112.018 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.35 131.63 10.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.673 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.02 -21.52 15.58 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -70.34 87.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 t -51.26 126.84 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.536 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.5 mtm -109.92 139.7 44.72 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 46' ' ' THR . 8.1 tp10 -123.37 122.71 38.99 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.523 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 27.4 p -80.7 156.2 26.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -58.35 -27.11 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.544 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.37 -4.49 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 109.974 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.27 16.83 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.474 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 21.3 m -111.04 116.2 30.76 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.83 115.1 20.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.459 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pt -126.95 126.21 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.79 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.488 ' O ' ' SD ' ' A' ' 26' ' ' MET . 65.7 mt -88.44 145.41 7.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 tpt -70.76 82.06 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.155 0.503 . . . . 0.0 109.672 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -72.61 -65.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.663 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.419 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -71.17 70.81 0.79 Allowed Glycine 0 CA--C 1.526 0.753 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.823 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.3 t-20 -69.27 -4.56 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.479 -0.488 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -82.17 61.44 5.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.133 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.6 pt -54.9 -18.97 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.855 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -49.08 -28.71 4.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -52.75 -31.64 39.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.58 ' CD1' ' HG ' ' A' ' 35' ' ' SER . 20.4 mt . . . . . 0 C--N 1.33 -0.246 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.208 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.593 ' NZ ' ' CZ ' ' A' ' 10' ' ' TYR . 17.0 tptp . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -154.11 145.19 22.77 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.913 0.387 . . . . 0.0 111.35 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.593 ' CZ ' ' NZ ' ' A' ' 8' ' ' LYS . 46.4 m-85 -141.81 98.31 3.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.741 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.38 97.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.44 158.91 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.871 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -78.91 -13.96 59.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -84.0 11.36 7.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.55 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.58 -13.38 52.49 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 t -87.21 179.93 6.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.349 . . . . 0.0 110.547 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -147.51 128.58 14.59 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.932 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 t -81.45 157.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.97 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -142.45 116.89 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.18 142.42 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.094 0.473 . . . . 0.0 111.264 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -84.45 -172.98 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.957 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -72.77 -18.66 61.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.392 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -77.64 -0.56 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.162 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.11 -15.99 35.7 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -64.32 145.34 56.19 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.2 mtt -85.66 -177.29 6.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.048 0.452 . . . . 0.0 110.923 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.53 120.7 1.0 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.1 tpt -93.27 88.01 5.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 110.965 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -106.45 110.36 22.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.832 0.349 . . . . 0.0 110.324 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.726 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -71.78 143.05 49.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.518 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -63.13 -2.71 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.283 -179.568 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.594 ' N ' HD21 ' A' ' 30' ' ' ASN . 11.7 t80 -80.64 16.26 1.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.602 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.17 20.12 76.28 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.726 ' H ' HD22 ' A' ' 30' ' ' ASN . 67.4 mttm -139.12 -178.92 5.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.437 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.562 ' HG ' ' H ' ' A' ' 36' ' ' MET . 8.6 t -106.97 169.77 8.35 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.609 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.562 ' H ' ' HG ' ' A' ' 35' ' ' SER . 16.2 mmt -142.97 112.75 6.96 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.964 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.7 OUTLIER -65.9 89.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.433 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 32.3 ttm -92.59 116.07 65.87 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.778 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.04 153.06 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.887 1.725 . . . . 0.0 112.196 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -78.48 84.71 4.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.17 -14.02 0.55 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -66.46 80.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.367 0.603 . . . . 0.0 109.606 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.2 t -39.05 128.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.91 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.1 mtm -111.69 136.62 50.68 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -116.32 122.6 45.37 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.738 0.304 . . . . 0.0 110.961 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.7 p -79.8 160.27 26.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.643 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -55.01 -31.88 61.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.557 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.3 -4.81 44.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.206 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.19 29.54 37.03 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.7 m -86.79 116.34 24.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -76.65 108.61 9.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -128.7 121.11 54.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.676 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 55' ' ' LYS . 62.5 mt -90.17 138.15 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.233 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.1 tpt -60.29 78.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.791 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 53' ' ' ILE . 11.7 ttmm -71.24 -66.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.568 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' A' ' 58' ' ' GLU . . . -70.19 58.09 0.83 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.393 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.4 t-20 -56.12 -10.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.277 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 56' ' ' GLY . 57.2 mt-10 -78.47 76.89 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.499 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.407 HG22 HD11 ' A' ' 59' ' ' ILE . 18.0 pt -73.02 -12.38 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.78 -29.14 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 61' ' ' ARG . 9.5 mpt_? -59.0 -50.05 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.427 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.183 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.511 ' C ' ' H ' ' A' ' 3' ' ' MET . 5.5 t . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 50.17 10.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.511 ' H ' ' C ' ' A' ' 1' ' ' VAL . 14.5 tpt -63.42 -36.6 84.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.6 m -58.22 -36.17 72.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -63.71 -46.14 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.529 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.56 135.2 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -166.06 139.34 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -158.82 131.62 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.352 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 m -154.21 110.98 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -102.94 109.81 21.5 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.942 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -61.26 96.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 111.072 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -69.68 159.7 32.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.941 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -76.63 -18.01 58.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.429 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -82.44 15.26 2.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.05 -21.48 5.74 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -79.38 -172.32 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.489 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -162.91 123.72 2.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.75 156.19 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -140.97 117.15 10.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.88 156.38 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.171 0.51 . . . . 0.0 111.349 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -100.12 -162.96 0.99 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.152 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -73.22 -30.22 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.71 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 25' ' ' LYS . 40.9 t0 -77.65 15.67 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.089 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.59 -10.99 1.28 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 23' ' ' ASP . 35.5 mmtm -63.95 145.57 55.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 10.7 mtt -81.21 177.4 9.04 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 111.152 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.1 110.23 0.44 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.0 tpt -79.71 87.45 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.426 . . . . 0.0 111.112 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -108.47 112.82 25.42 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.138 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.704 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -71.88 148.11 46.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.886 0.374 . . . . 0.0 110.661 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -66.11 -4.99 8.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.208 -179.521 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.637 ' N ' HD21 ' A' ' 30' ' ' ASN . 15.0 t80 -80.46 18.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.701 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.56 24.47 72.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.704 ' H ' HD22 ' A' ' 30' ' ' ASN . 93.8 mttt -139.14 176.75 8.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 110.285 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 m -107.58 156.96 18.46 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.64 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.6 mmm -135.67 112.77 10.41 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.733 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.544 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.69 92.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 -179.519 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.475 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 15.1 ttm -90.8 127.9 50.33 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.55 129.96 18.75 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.436 1.424 . . . . 0.0 112.102 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 4.1 tm-20 -43.77 137.27 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.917 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.466 ' N ' ' OE2' ' A' ' 40' ' ' GLU . . . 99.68 -14.8 60.3 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.781 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -69.14 81.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.541 0.686 . . . . 0.0 109.551 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 t -40.96 123.59 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.683 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.7 mtm -107.05 137.96 44.14 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -118.84 122.69 42.95 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.818 0.342 . . . . 0.0 111.054 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -75.61 169.57 17.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.604 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -61.87 -37.32 84.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.291 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -72.53 -6.32 43.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.395 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.07 31.72 22.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 m -88.43 116.4 26.63 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.857 0.36 . . . . 0.0 110.145 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -75.34 114.53 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 pt -134.27 117.9 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.561 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.495 ' O ' ' SD ' ' A' ' 26' ' ' MET . 67.8 mt -86.32 142.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.01 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 tpt -65.58 82.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.668 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -68.28 -67.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.195 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.404 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -74.61 77.59 1.07 Allowed Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.816 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -70.89 -8.4 52.57 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.8 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -77.91 76.71 4.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.235 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.9 pt -70.93 -12.24 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.723 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -51.0 -28.99 11.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -52.94 -47.92 67.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.699 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 tp -50.67 -51.04 53.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.091 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -62.23 92.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 53.44 -171.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.585 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.71 164.3 10.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.608 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -2.04 57.48 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.226 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 57.26 75.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' C ' ' H ' ' A' ' 70' ' ' HIS . 1.1 ptpp? -64.33 177.32 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 70' ' ' HIS . . . -67.24 0.11 9.16 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 69' ' ' GLY . 32.5 p80 42.25 30.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.2 m -167.33 -84.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -66.16 151.18 47.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.04 47.04 93.23 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.963 -1.465 . . . . 0.0 110.857 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -155.07 -72.98 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.4 mtt -61.79 -51.7 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 6' ' ' VAL . 50.0 m -70.72 -52.06 23.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.575 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 54.64 7.38 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.497 ' H ' ' C ' ' A' ' 4' ' ' SER . 12.1 p -68.9 137.48 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -172.73 146.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -98.93 146.37 26.07 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 m -154.19 110.93 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.766 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -103.4 115.38 30.43 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.929 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.01 93.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.42 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 1.6 mp -69.51 160.39 31.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.221 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -78.9 -17.2 55.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.516 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 16' ' ' SER . 5.4 m-20 -82.5 15.35 2.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.79 -12.12 12.15 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 14' ' ' ASP . 6.0 m -77.82 -178.27 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.499 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -152.01 123.53 7.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.099 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -78.7 152.88 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.993 0.425 . . . . 0.0 110.03 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -142.94 117.08 9.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -96.27 147.43 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 120.994 0.426 . . . . 0.0 111.067 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -86.93 -166.43 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.613 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -77.4 -20.95 53.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -77.61 -0.02 24.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.461 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.94 -15.79 41.16 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -64.25 144.53 57.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.424 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 6.4 mtt -78.07 -173.7 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.055 0.455 . . . . 0.0 110.337 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.33 122.07 1.08 Allowed Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 tpt -87.76 80.69 7.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 0.0 110.97 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -106.88 111.56 24.12 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.374 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 32' ' ' PHE . 14.4 p30 -71.52 163.24 28.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.706 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' H ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -85.3 1.46 48.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.704 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.499 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 9.7 t80 -80.44 8.34 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.677 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.52 14.48 78.18 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 9.8 mtpm? -138.89 -179.76 6.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.736 0.303 . . . . 0.0 110.2 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.5 m -106.34 170.79 7.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.003 0.43 . . . . 0.0 110.804 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.9 mmt -142.21 113.54 7.7 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.674 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -68.56 94.92 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.37 -179.162 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 44.3 ttm -102.99 125.35 35.57 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.34 158.33 54.63 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.54 1.493 . . . . 0.0 111.966 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -70.28 107.98 3.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.92 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.75 -19.09 2.76 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -72.4 76.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.3 t -41.48 124.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.103 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 30.9 mtm -106.34 137.95 43.4 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -116.4 122.73 45.69 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.832 0.348 . . . . 0.0 110.843 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.2 p -80.73 160.35 24.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.725 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 12' ' ' LEU . 68.5 mtt85 -54.01 -38.2 64.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.458 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -68.96 -5.83 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.347 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.8 32.39 30.03 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.7 m -93.24 116.44 29.01 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.697 0.284 . . . . 0.0 110.411 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -76.71 116.69 17.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.502 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 pt -132.85 124.62 50.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.629 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.8 mt -86.84 145.39 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.759 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 tpt -69.22 82.34 0.35 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -72.73 -70.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.107 0.479 . . . . 0.0 110.503 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.424 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.47 77.35 0.13 Allowed Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.435 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.3 t-20 -74.78 -4.27 36.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.414 . . . . 0.0 110.19 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -83.84 70.92 10.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.404 HG21 HD12 ' A' ' 59' ' ' ILE . 13.9 pt -67.32 -22.4 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.62 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -53.62 -29.09 36.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -53.87 -41.17 67.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 64' ' ' GLU . 9.9 tp -50.59 -51.0 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.525 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 55.12 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 62' ' ' LEU . 33.2 mt-10 -152.23 -6.13 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.94 14.34 0.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.628 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' N ' ' C ' ' A' ' 64' ' ' GLU . 2.1 tt -68.82 -66.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -77.62 -49.94 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.625 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -52.98 -28.04 21.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.591 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.5 -50.46 64.9 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -177.18 -178.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.338 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 m 56.15 170.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLY . 29.0 tp10 55.64 77.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.467 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.06 80.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.006 -1.441 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -155.08 -59.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 74.6 mtp -62.55 -37.15 85.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.611 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 m -57.03 -39.24 74.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.547 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -168.15 94.62 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.7 m -62.27 140.05 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.4 m -71.85 -39.29 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.737 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -163.08 133.49 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.581 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.5 m -154.29 111.02 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.813 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -102.35 119.51 38.94 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -70.67 97.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.003 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.51 153.0 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.17 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -79.02 -9.25 59.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.198 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -83.86 7.61 17.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.298 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.36 -19.56 39.04 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.5 m -90.8 -166.76 1.65 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.761 0.315 . . . . 0.0 110.536 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -162.82 137.06 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.266 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.65 157.67 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -142.31 117.21 9.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.79 152.05 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.906 0.384 . . . . 0.0 110.96 -178.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -92.34 -167.03 1.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.207 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.32 -14.67 59.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.555 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.48 0.45 52.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.759 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.13 -17.74 35.84 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -64.21 145.87 55.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.9 mtt -80.08 -178.54 6.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.78 109.54 0.41 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.4 tpt -81.68 89.19 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 111.212 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -103.85 104.49 14.49 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.196 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.67 ' ND2' ' H ' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -70.8 138.53 50.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.646 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -55.89 -2.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' H ' ' C ' ' A' ' 30' ' ' ASN . 7.9 t80 -80.31 4.65 17.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.824 0.345 . . . . 0.0 110.551 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.3 25.34 68.66 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.67 ' H ' ' ND2' ' A' ' 30' ' ' ASN . 51.5 mtpt -139.21 166.21 25.13 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.489 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 m -93.54 121.56 35.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.467 ' SD ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -93.38 124.72 37.56 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.215 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.7 OUTLIER -78.37 88.48 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.541 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.0 ttm -93.02 114.48 62.8 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.197 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -47.3 147.22 6.03 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.709 1.606 . . . . 0.0 111.662 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 6.5 pt-20 -70.32 114.85 8.86 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.935 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . 124.29 -17.7 7.44 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -64.75 77.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.536 0.684 . . . . 0.0 109.516 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' GLY . 12.9 t -39.69 129.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.866 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.8 mtm -111.58 139.06 47.33 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -111.23 122.77 48.74 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.944 0.402 . . . . 0.0 111.297 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.7 p -80.2 173.97 12.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.57 -38.25 83.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.184 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -73.22 -2.83 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.433 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.4 35.87 25.14 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.9 m -91.55 124.38 35.67 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.297 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -82.27 108.61 15.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.437 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.85 123.42 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.593 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' A' ' 55' ' ' LYS . 50.4 mt -91.53 133.08 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.5 tpt -58.67 80.18 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 53' ' ' ILE . 33.0 ttpt -70.84 -66.69 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.514 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' A' ' 58' ' ' GLU . . . -67.41 62.13 0.27 Allowed Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.553 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.3 t-20 -64.51 -4.16 3.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.01 0.433 . . . . 0.0 109.883 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 60' ' ' PHE . 17.4 pt-20 -85.01 54.15 2.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.351 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 59' ' ' ILE . 13.7 pt -46.48 -13.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.5 ' H ' ' C ' ' A' ' 58' ' ' GLU . 90.4 m-85 -49.09 -29.08 4.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.547 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -53.02 -50.08 64.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.76 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -51.21 67.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.141 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -59.94 153.45 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.578 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 54.38 -164.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.58 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.55 113.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.525 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 7.2 mp -72.24 -72.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -62.92 -176.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -59.06 -68.9 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.13 -86.75 0.08 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -168.08 -176.11 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.614 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.2 m 56.29 24.16 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.461 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.6 -179.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.587 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.51 -151.13 9.54 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.78 0 CA-C-O 117.993 -1.449 . . . . 0.0 110.922 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.02 128.97 9.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.5 mtp -76.32 -51.79 11.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.8 m -82.4 -52.81 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.522 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 5' ' ' ASN . 6.6 p-10 -176.55 -59.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.23 141.04 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -57.58 -40.51 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.653 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.49 142.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 m -154.3 110.7 3.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.945 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -103.02 121.84 43.39 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.13 97.41 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.367 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.42 163.17 23.86 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.9 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -78.73 -18.5 54.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.51 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 16' ' ' SER . 37.3 t70 -83.94 16.84 2.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.438 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.26 -11.15 9.08 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.418 ' H ' ' C ' ' A' ' 14' ' ' ASP . 8.7 t -75.15 -179.0 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.544 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -151.77 124.7 8.57 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.197 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -84.26 155.72 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -142.98 117.54 9.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.51 151.66 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.024 0.44 . . . . 0.0 110.986 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -93.7 -174.46 3.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.953 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.51 -20.6 62.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.438 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -77.67 -0.43 26.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.121 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 -14.52 43.94 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.77 145.5 55.91 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.418 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 2.1 mtm -80.0 -172.38 3.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.06 0.457 . . . . 0.0 110.613 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.16 120.7 0.96 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.5 tpt -87.76 87.04 7.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 110.854 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -107.31 104.64 14.29 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.332 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.739 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -66.52 179.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.6 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -10.69 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.056 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.25 11.56 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.91 2.89 40.75 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.739 ' H ' HD22 ' A' ' 30' ' ' ASN . 67.2 mmtt -102.2 -177.91 3.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.771 0.319 . . . . 0.0 110.341 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -116.96 120.38 38.22 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.391 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.2 mmt -91.13 115.83 28.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.346 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.7 OUTLIER -65.86 92.09 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.447 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 34.2 ttm -98.31 116.63 65.48 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.963 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.3 155.29 0.41 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.799 1.666 . . . . 0.0 112.139 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -79.74 87.31 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.353 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.45 -9.97 0.6 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -73.17 79.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.511 0.672 . . . . 0.0 109.868 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.8 t -36.87 129.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.876 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.8 mtm -114.13 134.35 54.95 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -114.46 122.86 47.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.815 0.34 . . . . 0.0 111.237 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.3 p -77.37 170.63 16.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.673 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -65.65 -38.24 88.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.47 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.6 -1.89 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.19 40.74 13.06 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -100.37 120.34 39.8 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.782 0.325 . . . . 0.0 110.232 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -81.26 108.59 15.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.037 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 pt -125.77 125.53 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.0 mm -89.45 145.6 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.6 tpt -69.36 77.78 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -71.73 -62.72 1.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.144 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 58' ' ' GLU . . . -70.41 48.43 0.73 Allowed Glycine 0 CA--C 1.526 0.764 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.665 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -53.36 -12.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.185 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' A' ' 60' ' ' PHE . 17.9 mm-40 -78.9 52.7 1.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.626 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.5 pt -49.36 -12.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.676 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.495 ' H ' ' C ' ' A' ' 58' ' ' GLU . 59.7 t80 -49.09 -29.1 4.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.758 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' O ' ' OE2' ' A' ' 64' ' ' GLU . 13.9 tpp85 -53.94 -50.29 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.952 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -51.46 60.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.243 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' O ' ' OD2' ' A' ' 63' ' ' ASP . 4.8 p-10 -87.04 100.19 12.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.583 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 61' ' ' ARG . 20.6 pt-20 -172.11 -39.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.502 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.77 -147.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -174.77 -17.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.754 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -79.32 -53.16 7.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.5 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -152.98 178.05 10.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.447 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.79 -20.73 70.22 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -164.26 -162.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.591 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 m 58.68 76.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -170.09 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.89 92.29 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.032 -1.427 . . . . 0.0 110.963 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.565 ' CG1' ' H ' ' A' ' 2' ' ' ASP . 2.6 p . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.565 ' H ' ' CG1' ' A' ' 1' ' ' VAL . 0.4 OUTLIER 60.06 135.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.424 ' O ' ' OD1' ' A' ' 5' ' ' ASN . 64.3 mtt -78.79 -51.79 9.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.7 p -46.25 -27.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 3' ' ' MET . 30.9 m120 55.4 41.88 30.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.632 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -57.25 157.09 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.486 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.5 m -151.75 155.73 6.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.968 0.413 . . . . 0.0 110.597 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -163.71 143.85 8.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.267 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.5 m -154.19 110.74 3.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.764 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -101.36 105.51 16.57 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.584 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.47 ' OD2' ' NZ ' ' A' ' 17' ' ' LYS . 1.1 m-20 -67.65 85.52 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 111.257 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.44 160.33 5.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.057 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -77.72 -18.96 56.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.549 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -80.39 12.71 2.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.517 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.59 -12.79 26.13 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -74.77 -178.55 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.499 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' NZ ' ' OD2' ' A' ' 11' ' ' ASP . 66.7 mttm -151.54 122.81 7.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.0 t -81.08 155.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.137 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -143.01 116.98 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.33 156.37 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.969 0.414 . . . . 0.0 110.703 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -99.63 -162.01 0.92 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.456 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' A' ' 24' ' ' GLY . 65.5 tttm -75.03 -29.93 60.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.723 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 25' ' ' LYS . 38.1 t0 -77.7 16.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 22' ' ' LYS . . . 67.79 -9.13 1.47 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.521 ' H ' ' C ' ' A' ' 23' ' ' ASP . 41.7 mmtt -64.21 145.37 56.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.492 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 7.2 mtt -80.59 178.4 8.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.348 0.594 . . . . 0.0 111.231 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.51 125.86 1.84 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 tpt -93.09 83.82 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 111.821 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 17' ' ' LYS . 69.6 tt0 -110.25 109.07 19.4 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.75 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.77 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -59.68 -166.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.795 -179.266 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -25.77 35.8 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.323 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 32' ' ' PHE . 39.3 t80 -84.67 18.61 2.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.798 0.332 . . . . 0.0 110.677 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.32 2.66 15.39 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.77 ' H ' HD22 ' A' ' 30' ' ' ASN . 9.8 ttmm -81.83 133.04 35.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.292 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 t -82.51 112.3 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mtp -93.57 112.73 24.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.867 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.538 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -64.68 92.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.645 -179.079 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.4 ttm -98.66 126.25 39.69 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.96 157.88 58.55 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.549 1.499 . . . . 0.0 112.082 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -71.37 100.34 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.829 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.73 -19.5 1.13 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -72.3 84.36 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.446 0.641 . . . . 0.0 109.764 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.4 t -44.71 123.58 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.207 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.1 mtm -103.18 153.39 20.39 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -136.93 126.43 25.15 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.999 0.428 . . . . 0.0 111.502 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.5 p -74.99 165.74 24.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.707 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.452 ' NH1' ' OD1' ' A' ' 48' ' ' ASP . 39.9 ptt85 -53.95 -38.2 64.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.336 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.452 ' OD1' ' NH1' ' A' ' 47' ' ' ARG . 61.1 m-20 -68.63 -44.73 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.306 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 127.32 34.05 0.59 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 m -84.84 135.6 34.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.33 . . . . 0.0 110.199 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -88.18 108.65 19.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.11 118.69 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.715 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' LYS . 12.2 mm -85.55 145.34 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.194 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.19 75.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' ILE . 3.1 tppp? -63.31 -74.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.03 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.492 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.18 77.34 0.12 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.088 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -69.95 -4.09 19.06 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -82.7 74.52 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.244 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.0 pt -73.21 -31.03 32.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.318 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 30.3 p90 -49.15 -29.09 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.618 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.427 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 9.2 tpt180 -53.45 -36.22 61.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.28 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.6 -51.23 50.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.486 ' CG ' ' H ' ' A' ' 64' ' ' GLU . 24.4 p-10 -173.6 -115.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.663 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.486 ' H ' ' CG ' ' A' ' 63' ' ' ASP . 5.6 pt-20 32.58 97.25 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.514 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 67' ' ' ARG . . . 58.62 17.27 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.475 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 tp 55.21 -80.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 65' ' ' ALA . 80.0 mtt180 59.02 86.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.495 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 tptt 58.83 110.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.458 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' A' ' 71' ' ' SER . . . 164.52 140.71 2.94 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.49 ' C ' ' H ' ' A' ' 72' ' ' GLU . 87.3 m-70 50.17 11.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 0.0 110.602 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.518 ' H ' ' C ' ' A' ' 69' ' ' GLY . 85.4 p -73.29 40.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' A' ' 70' ' ' HIS . 75.0 mt-10 -55.43 86.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 177.67 150.22 8.39 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.672 0 CA-C-O 117.998 -1.445 . . . . 0.0 110.938 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 5.3 p-10 -175.48 -7.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.462 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -59.43 -31.93 69.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.598 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 t -71.08 -39.6 72.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -73.29 125.03 26.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.615 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 t -73.19 130.04 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.41 151.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.527 ' NZ ' ' OH ' ' A' ' 10' ' ' TYR . 2.4 tppp? -99.05 143.11 29.7 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.46 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.2 m -154.19 111.09 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.772 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.527 ' OH ' ' NZ ' ' A' ' 8' ' ' LYS . 55.1 m-85 -107.41 105.55 15.53 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.1 85.36 0.73 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.87 0.367 . . . . 0.0 110.998 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.63 161.87 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.723 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' A' ' 15' ' ' GLY . 1.3 mm100 -79.0 -19.41 51.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.54 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -78.44 13.93 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.44 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . 74.57 -7.18 20.43 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.5 p -74.7 -168.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.432 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -160.4 122.65 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.24 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -95.41 149.14 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 119.16 11.09 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.7 156.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.033 0.444 . . . . 0.0 111.108 -178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -99.4 -164.16 1.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.372 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -74.83 -24.28 58.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -80.12 12.52 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.609 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.9 -11.48 1.9 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' A' ' 23' ' ' ASP . 36.1 mtmt -66.28 146.03 55.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 8.3 mtt -80.23 -171.22 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.62 112.41 0.52 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 tpt -84.32 109.35 17.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 111.2 -178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -135.71 126.04 26.56 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.271 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -83.65 172.89 11.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.683 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.35 -7.15 59.11 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -80.62 -4.45 54.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.7 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.48 27.29 39.8 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -139.12 122.16 16.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.413 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 m -55.6 142.91 31.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.6 mtp -117.15 112.78 21.33 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -67.34 88.57 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.148 -179.516 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 42.7 ttm -91.49 125.54 57.49 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.38 136.02 25.61 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.672 1.581 . . . . 0.0 112.002 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.22 127.37 10.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.807 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.34 -21.12 10.14 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -71.31 91.68 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.368 0.604 . . . . 0.0 109.51 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.0 125.03 12.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.17 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.4 mtm -107.24 153.94 21.96 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -136.51 131.23 33.66 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.909 0.385 . . . . 0.0 111.384 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.4 p -86.0 172.42 10.67 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.625 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -66.01 -38.23 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.225 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -65.8 -10.62 39.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.064 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.9 46.25 6.03 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.2 m -109.94 136.97 48.38 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -90.67 129.18 36.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.71 123.03 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.71 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.496 ' O ' ' SD ' ' A' ' 26' ' ' MET . 13.8 mt -90.78 135.74 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.989 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 tpt -64.65 79.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.161 0.505 . . . . 0.0 110.36 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ILE . 89.8 mttt -73.57 -50.61 20.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.726 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.21 81.53 1.68 Allowed Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.115 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.1 t-20 -78.59 -4.0 46.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -87.3 51.18 2.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.422 HG21 HD11 ' A' ' 59' ' ' ILE . 19.3 pt -45.98 -24.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.734 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -50.0 -28.7 7.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.477 HH21 ' HZ3' ' A' ' 25' ' ' LYS . 17.1 tpp180 -53.0 -50.27 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.7 tp -50.5 -51.08 50.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.901 0.381 . . . . 0.0 110.154 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 64' ' ' GLU . 27.5 t70 52.44 -106.13 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' N ' ' OD2' ' A' ' 63' ' ' ASP . 69.4 tt0 -172.48 75.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.586 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -172.3 146.65 1.87 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.57 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.53 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 7.2 mp -72.21 -28.78 63.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.318 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -166.99 -170.4 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.501 ' NZ ' ' CB ' ' A' ' 68' ' ' LYS . 2.6 ttmp? -170.18 -29.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.1 121.13 0.73 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -59.73 -76.23 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.835 0.35 . . . . 0.0 110.545 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 73' ' ' GLY . 43.7 t -61.72 106.72 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 54.43 -83.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 64.84 -79.57 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.82 0 CA-C-O 118.004 -1.442 . . . . 0.0 110.952 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 72.4 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 5.0 p-10 -177.34 -172.17 0.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.503 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -52.28 -29.84 25.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.7 m -74.87 -45.58 42.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 52.35 56.64 7.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.457 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.2 t -63.65 118.79 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.705 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.5 m -152.81 -174.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.308 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -99.09 150.33 22.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.475 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 t -149.28 148.1 29.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.565 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.519 ' O ' ' N ' ' A' ' 12' ' ' LEU . 41.4 m-85 -137.63 96.08 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.944 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.98 87.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.883 0.373 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.1 tp -67.66 152.54 45.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.36 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.59 HE21 ' N ' ' A' ' 14' ' ' ASP . 1.6 pp0? -79.14 -6.65 57.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.351 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.59 ' N ' HE21 ' A' ' 13' ' ' GLN . 21.9 t70 -92.02 9.72 32.05 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.367 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.8 -16.49 31.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -83.55 -172.69 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.296 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -155.96 129.51 8.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.575 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.65 140.64 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CZ ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -133.91 120.48 20.42 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.25 156.44 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.147 0.498 . . . . 0.0 111.499 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 86.5 m-85 -100.43 -163.69 1.05 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.554 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -77.37 -17.75 57.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.335 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -78.49 -4.21 47.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 -4.45 78.0 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -80.8 145.81 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 17.5 mtt -77.99 -175.19 3.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.108 0.48 . . . . 0.0 110.806 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.57 112.28 0.51 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.5 tpt -77.69 140.76 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.039 0.447 . . . . 0.0 111.311 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -156.81 116.02 3.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.128 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.758 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -71.19 158.77 35.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.933 0.397 . . . . 0.0 110.854 -179.589 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 pptp? -47.31 -21.81 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.233 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -80.31 11.13 3.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.76 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.35 2.74 15.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.758 ' H ' HD22 ' A' ' 30' ' ' ASN . 61.5 tttp -88.44 143.18 27.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.552 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -81.01 119.93 24.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -106.52 137.01 45.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.06 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' ND2' HD22 ' A' ' 57' ' ' ASN . 0.7 OUTLIER -79.24 93.19 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.008 -179.588 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.1 ttm -91.67 114.48 62.03 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -48.31 140.46 20.41 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.665 1.577 . . . . 0.0 111.93 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.67 126.19 26.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.957 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . 110.31 -16.01 29.88 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -66.86 72.15 0.09 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.588 0.709 . . . . 0.0 109.316 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 41' ' ' GLY . 20.0 t -35.83 129.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.557 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.4 mtm -113.34 147.04 38.45 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -129.22 122.84 30.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.915 0.388 . . . . 0.0 111.078 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 p -81.52 167.32 19.45 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -53.76 -38.41 64.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.504 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -71.54 0.79 7.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.282 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.6 37.66 61.85 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.5 m -88.94 118.11 28.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.725 0.298 . . . . 0.0 110.401 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -76.5 108.69 9.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 pt -128.32 122.81 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.559 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 55' ' ' LYS . 59.7 mt -91.6 135.84 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.319 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.98 80.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 53' ' ' ILE . 34.0 ttmt -73.23 -63.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.648 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 58' ' ' GLU . . . -68.41 60.33 0.44 Allowed Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.619 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.8 t-20 -60.4 -4.28 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.779 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 56' ' ' GLY . 54.9 mt-10 -85.84 55.09 3.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.329 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 59' ' ' ILE . 11.5 pt -47.6 -12.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.508 ' H ' ' C ' ' A' ' 58' ' ' GLU . 42.2 t80 -48.71 -28.92 3.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.741 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -59.46 -50.25 74.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.2 -51.17 70.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.963 0.411 . . . . 0.0 110.049 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -47.86 -41.97 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.542 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.56 137.74 56.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.42 146.41 40.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.522 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 7.3 mp -68.56 -85.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.357 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.516 ' C ' ' H ' ' A' ' 69' ' ' GLY . 56.9 mtp180 50.68 -142.8 0.65 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.534 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt 61.72 -0.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.427 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 67' ' ' ARG . . . 75.82 158.18 7.39 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.613 ' CG ' ' H ' ' A' ' 71' ' ' SER . 68.1 t60 -68.4 177.24 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.573 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.613 ' H ' ' CG ' ' A' ' 70' ' ' HIS . 51.6 p 53.62 -171.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 1.4 pm0 -168.33 155.43 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 179.79 54.71 0.08 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.754 0 CA-C-O 117.899 -1.501 . . . . 0.0 110.896 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 1.2 p-10 -176.73 -20.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.406 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 3' ' ' MET . 1.8 tmt? -70.44 -51.73 27.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.447 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.455 ' C ' ' H ' ' A' ' 6' ' ' VAL . 52.0 m -69.0 -29.2 67.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 3' ' ' MET . 59.4 m-80 55.73 8.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.627 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.455 ' H ' ' C ' ' A' ' 4' ' ' SER . 13.3 p -68.28 145.58 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.56 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.9 m -153.17 155.72 6.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.456 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.554 ' HZ1' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -98.92 139.67 34.24 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p -149.84 147.87 28.49 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.273 0.559 . . . . 0.0 110.908 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CD1' ' O ' ' A' ' 9' ' ' THR . 26.9 m-85 -143.67 97.62 3.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.574 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 47' ' ' ARG . 11.9 m-20 -49.9 96.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.404 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.4 144.1 51.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.995 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -65.89 -10.31 37.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.23 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -90.36 12.62 17.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.464 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.89 -18.25 7.91 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.5 p -76.27 -178.01 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 110.535 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 29' ' ' GLU . 36.0 mtpt -149.95 125.3 10.16 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.236 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.78 154.31 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -142.8 117.35 9.74 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.554 ' CG2' ' HZ1' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -96.06 143.11 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 -178.52 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -81.47 -169.01 2.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.741 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -77.24 -19.79 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.477 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.54 1.19 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.392 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.56 -16.27 36.46 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -64.24 145.34 56.16 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.417 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 1.9 mtm -79.9 -176.94 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.655 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.83 118.06 0.81 Allowed Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 tpt -83.08 85.92 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 111.301 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 17' ' ' LYS . 47.5 tt0 -108.75 104.43 13.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.207 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 30' ' ' ASN . 49.8 p30 -72.0 155.02 40.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.354 . . . . 0.0 110.66 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.29 -5.17 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.955 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -80.45 -4.68 54.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.69 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.57 24.67 60.17 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -139.1 122.11 16.74 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.383 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.5 p -61.04 121.88 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.687 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.2 mtt -94.67 114.66 26.62 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.096 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -62.07 97.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.442 -179.38 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.516 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 41.8 ttm -107.4 125.65 31.87 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.8 162.16 42.84 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.68 1.587 . . . . 0.0 112.053 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -73.6 111.0 8.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.959 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.88 -16.85 3.69 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -74.4 72.0 1.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.261 0.553 . . . . 0.0 109.516 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 t -37.92 123.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.131 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 32.9 mtm -105.47 137.32 43.49 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -106.71 122.48 46.45 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.43 ' OG1' ' OD1' ' A' ' 48' ' ' ASP . 17.6 p -73.45 178.5 4.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.697 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' ASP . 73.6 ttt180 -73.73 -37.95 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.378 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.43 ' OD1' ' OG1' ' A' ' 46' ' ' THR . 7.8 p30 -72.25 -10.16 59.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.93 40.82 5.78 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.41 ' OG1' ' OD1' ' A' ' 48' ' ' ASP . 41.1 m -103.03 145.44 29.89 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -94.26 121.4 35.73 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.007 0.432 . . . . 0.0 110.942 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -137.71 117.65 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.707 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.582 ' N ' ' CD1' ' A' ' 53' ' ' ILE . 1.4 mp -82.24 145.34 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.428 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.8 tpt -68.06 76.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -67.09 -69.27 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.159 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.417 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -67.14 61.31 0.23 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.878 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -60.64 -9.89 4.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.135 0.493 . . . . 0.0 109.709 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.11 73.08 8.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.462 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.1 pt -70.58 -12.3 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -49.92 -29.67 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.498 ' N ' ' CD ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -62.65 -48.15 80.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.48 -51.14 49.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.09 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -51.97 139.57 22.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.473 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -49.45 108.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -174.73 -85.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.619 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 3.3 mm? -74.25 95.62 2.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -172.51 92.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.517 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -172.15 79.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.2 104.43 0.17 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.7 -73.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.738 0.304 . . . . 0.0 110.526 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.8 m -63.4 104.0 0.57 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.49 168.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.576 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.32 -166.91 0.4 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.758 0 CA-C-O 117.998 -1.445 . . . . 0.0 110.979 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 0.5 OUTLIER 57.52 77.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.665 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.2 tpt -78.17 -46.13 21.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.634 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.3 m -70.52 -49.85 43.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.511 ' H ' ' HZ2' ' A' ' 22' ' ' LYS . 14.5 m120 58.05 77.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.64 105.99 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.512 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . 33.0 m -79.64 172.27 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.675 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -158.2 149.35 20.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.393 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.9 m -152.75 110.86 3.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -109.29 99.0 8.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.191 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.14 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.08 163.45 28.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.43 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -79.1 -17.63 54.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.53 11.73 3.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.07 -11.55 42.04 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.0 p -87.49 178.88 6.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.752 0.31 . . . . 0.0 110.281 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -146.37 127.59 14.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.469 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -81.45 143.08 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.775 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -138.32 117.31 12.49 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.362 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.02 156.53 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 121.032 0.444 . . . . 0.0 111.522 -178.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -97.16 -166.33 1.38 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.407 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.511 ' HZ2' ' H ' ' A' ' 5' ' ' ASN . 36.1 tptt -73.92 -22.8 59.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.683 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -77.62 -4.63 46.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.46 -13.26 62.61 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -68.51 145.24 54.21 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.996 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.471 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 19.3 mtt -81.77 -173.02 4.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 110.961 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.83 130.27 1.45 Allowed Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 93.8 mmm -73.37 155.44 39.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.256 0.55 . . . . 0.0 111.521 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 30' ' ' ASN . 0.4 OUTLIER -157.04 103.76 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.22 178.707 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.762 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -73.88 -177.32 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.266 -179.161 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -68.22 -25.0 64.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.526 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.4 ' C ' ' H ' ' A' ' 34' ' ' LYS . 34.9 m-85 -80.13 15.73 1.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.27 2.66 15.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.762 ' H ' HD22 ' A' ' 30' ' ' ASN . 68.3 mttm -96.42 158.87 15.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.815 0.34 . . . . 0.0 110.32 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 m -82.84 167.58 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.735 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.7 mmt -144.52 112.74 6.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.473 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.672 HD21 ' N ' ' A' ' 38' ' ' MET . 0.1 OUTLIER -52.23 136.43 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.26 -179.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.672 ' N ' HD21 ' A' ' 37' ' ' ASN . 9.1 ttm -145.84 114.43 4.68 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.085 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.05 139.75 33.54 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.651 1.567 . . . . 0.0 112.056 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.83 126.81 28.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.985 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.51 -11.57 35.99 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -72.55 71.39 0.96 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.393 0.616 . . . . 0.0 109.473 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 t -31.69 131.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.492 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 24.3 mtm -114.12 149.85 34.98 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -127.48 122.48 33.53 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.775 0.322 . . . . 0.0 110.908 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.0 p -79.53 168.1 19.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -55.0 -38.26 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.548 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.72 -1.0 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.172 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 31.23 50.45 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.2 m -84.39 116.39 23.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 110.228 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -77.48 108.6 10.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.47 129.14 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.471 ' O ' ' SD ' ' A' ' 26' ' ' MET . 65.4 mt -89.51 142.36 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.431 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.3 tpt -72.08 87.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.741 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -62.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.814 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.29 80.13 0.88 Allowed Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.423 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.2 t-20 -74.56 -8.91 57.85 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.98 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' N ' ' CD ' ' A' ' 58' ' ' GLU . 3.8 mp0 -82.58 70.04 9.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.178 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.0 pt -69.84 -12.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.03 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -49.04 -29.03 4.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.066 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -58.79 -50.4 74.09 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.047 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.24 -51.12 70.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.896 0.379 . . . . 0.0 109.994 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' A' ' 65' ' ' ALA . 38.2 t70 -56.69 169.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.7 -2.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 63' ' ' ASP . . . -77.61 60.43 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.585 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.1 mt -72.05 171.42 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' GLY . 81.1 ttt180 -167.4 149.22 5.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -64.15 76.68 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' SER . . . -67.45 -73.78 0.63 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.504 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -65.0 74.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.635 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' GLY . 30.5 t -170.04 115.11 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.51 91.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 179.5 -65.11 0.08 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.814 0 CA-C-O 117.992 -1.449 . . . . 0.0 110.933 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 3' ' ' MET . 6.1 m . . . . . 0 N--CA 1.498 1.958 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.484 ' OD1' ' C ' ' A' ' 1' ' ' VAL . 0.5 OUTLIER 60.9 -73.89 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.716 0.294 . . . . 0.0 110.818 178.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.532 ' N ' ' O ' ' A' ' 1' ' ' VAL . 27.4 ttt -54.14 -41.23 68.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.55 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -57.34 -52.56 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.3 t30 52.6 59.09 4.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.675 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 p -131.13 154.99 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.8 t -151.78 154.09 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.436 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.09 143.85 28.9 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -154.24 110.99 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.766 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -106.51 120.63 42.42 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.822 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.07 91.72 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.798 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.78 153.51 36.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.052 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -75.76 -14.33 60.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.606 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -81.41 12.29 3.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.45 -15.91 27.17 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.564 -1.015 . . . . 0.0 110.564 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.566 ' HG ' ' N ' ' A' ' 17' ' ' LYS . 26.6 t -87.87 -170.23 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.566 ' N ' ' HG ' ' A' ' 16' ' ' SER . 15.7 ptpt -163.09 146.83 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.771 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.88 155.64 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -142.34 118.04 10.44 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.244 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.62 156.65 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 111.312 -178.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -97.54 -162.48 0.96 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.152 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -77.35 -23.0 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.697 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -81.61 7.27 12.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.85 -13.11 14.39 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -64.91 145.54 56.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.49 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 9.9 mtt -80.03 179.48 7.58 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.145 0.498 . . . . 0.0 111.043 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.61 111.93 0.5 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.8 tpt -79.79 133.2 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' O ' ' OG ' ' A' ' 16' ' ' SER . 11.1 pt-20 -155.26 128.6 8.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.131 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.743 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -73.1 -163.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -81.3 -31.38 33.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -80.32 14.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.827 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.04 2.93 27.15 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.743 ' H ' HD22 ' A' ' 30' ' ' ASN . 65.2 mmtt -81.37 122.19 27.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.739 0.304 . . . . 0.0 110.321 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.5 p -62.1 130.1 43.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.734 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.9 mtt -116.75 112.9 21.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.847 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.538 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.2 OUTLIER -61.68 109.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.018 -179.638 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.46 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 30.1 ttm -108.69 124.23 34.93 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.78 144.97 2.09 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 121.523 1.482 . . . . 0.0 112.061 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -74.24 77.82 1.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.233 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.73 -19.07 0.11 Allowed Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.406 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -56.02 129.53 40.22 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.75 116.55 28.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.2 mtm -101.46 139.12 37.56 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -121.07 122.64 40.5 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.721 0.296 . . . . 0.0 110.851 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.1 p -79.63 162.66 25.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -53.69 -38.37 64.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.455 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.7 -5.07 22.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.252 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 30.92 35.07 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -89.74 116.44 27.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.831 0.348 . . . . 0.0 110.245 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -76.3 116.95 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 pt -136.04 118.43 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.672 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.49 ' O ' ' SD ' ' A' ' 26' ' ' MET . 63.7 mt -86.49 145.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.825 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.9 tpt -65.85 83.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.433 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -72.27 -69.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.208 0.528 . . . . 0.0 110.215 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.427 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -69.34 66.18 0.55 Allowed Glycine 0 CA--C 1.525 0.663 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.806 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 38' ' ' MET . 3.8 t-20 -61.87 -6.3 2.65 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.851 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.523 ' OE1' ' NH2' ' A' ' 61' ' ' ARG . 31.4 mt-10 -80.03 74.93 6.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.138 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.43 HG21 HD11 ' A' ' 59' ' ' ILE . 25.0 pt -71.62 -12.34 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.823 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -51.84 -29.13 18.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.622 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.523 ' NH2' ' OE1' ' A' ' 58' ' ' GLU . 11.5 mpt_? -61.33 -50.25 73.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.427 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 tp -50.81 -51.02 54.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.262 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.07 119.33 22.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 51.23 78.71 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.19 134.48 53.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.53 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 7.1 mp -69.59 87.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.42 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 66' ' ' LEU . 55.6 ttp180 58.2 154.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.554 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 69' ' ' GLY . 3.6 tmtm? -60.32 101.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.19 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 68' ' ' LYS . . . -44.51 171.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 56.41 89.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.9 p -170.56 141.51 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -64.11 -35.4 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.475 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.17 90.68 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.696 0 CA-C-O 118.048 -1.418 . . . . 0.0 110.969 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.546 ' H2 ' ' H ' ' A' ' 70' ' ' HIS . 32.6 m . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -146.24 134.4 21.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 -179.591 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.8 mtt -55.25 -30.37 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.546 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.5 t -57.21 -23.6 48.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -75.18 104.36 5.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.8 m -131.1 154.91 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.518 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . 13.3 p -77.58 -15.84 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.555 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.518 ' NZ ' ' O ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -148.12 151.01 34.89 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.812 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.4 m -154.04 110.71 3.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.295 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -108.36 109.59 20.94 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.922 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.43 93.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.973 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 mp -71.51 160.5 32.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.089 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -75.97 -18.07 59.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.451 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -81.31 13.92 2.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.35 -11.2 13.41 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 p -80.12 -176.7 5.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.828 0.346 . . . . 0.0 110.552 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -151.05 126.24 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.388 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -81.52 152.31 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -142.85 117.16 9.59 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.35 156.55 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 121.343 0.592 . . . . 0.0 111.924 -178.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 94.2 m-85 -97.8 -166.14 1.34 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.498 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -77.41 -19.97 55.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.298 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -78.46 -4.39 48.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.02 -17.8 48.82 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -64.27 145.01 56.71 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 12.8 mtt -78.25 -167.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.59 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.49 115.8 0.68 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.1 tpt -87.47 145.49 26.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.208 0.528 . . . . 0.0 111.602 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -156.11 117.96 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.617 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.763 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -61.46 155.75 21.05 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.667 -179.427 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -5.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.402 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.545 ' H ' ' C ' ' A' ' 30' ' ' ASN . 4.0 t80 -93.5 15.34 16.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.492 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.31 2.87 16.18 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.763 ' H ' HD22 ' A' ' 30' ' ' ASN . 5.2 ttpm? -95.55 164.45 12.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.384 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.0 p -75.58 144.08 42.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.706 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttt -129.54 115.28 17.21 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.827 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.7 OUTLIER -68.61 98.48 0.89 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.237 -179.468 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.4 ttm -106.95 115.45 60.22 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.926 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -43.89 151.63 0.43 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.919 1.746 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -76.93 83.39 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.326 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.31 -12.0 0.33 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -70.8 96.44 1.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.435 0.636 . . . . 0.0 109.598 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 t -52.89 130.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.481 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 30.4 mtm -112.99 134.34 54.54 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -114.02 122.69 47.7 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.4 p -80.27 161.7 24.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -54.51 -38.18 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.19 -0.68 10.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.81 39.01 34.94 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -98.93 117.99 34.69 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.811 0.339 . . . . 0.0 110.236 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -76.78 119.43 20.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 pt -137.31 126.89 36.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.541 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.506 ' O ' ' SD ' ' A' ' 26' ' ' MET . 6.4 mm -89.86 145.24 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.953 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.5 tpt -69.35 79.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.691 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -68.47 -55.82 10.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.779 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.59 74.56 2.24 Favored Glycine 0 CA--C 1.523 0.536 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.08 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.2 t-20 -74.39 -5.45 42.45 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.323 -0.551 . . . . 0.0 109.595 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -86.74 52.12 2.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.868 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.421 HG23 HD13 ' A' ' 59' ' ' ILE . 12.3 pt -45.89 -23.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.849 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -49.0 -28.52 3.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.607 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -53.06 -50.35 64.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.336 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pp -54.63 -27.58 40.55 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.738 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.8 -72.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.445 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -70.21 148.77 48.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.399 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 54.97 80.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.502 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.427 ' CG ' ' H ' ' A' ' 67' ' ' ARG . 0.2 OUTLIER -82.89 -102.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.301 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.427 ' H ' ' CG ' ' A' ' 66' ' ' LEU . 65.6 ttp85 54.9 106.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -152.49 64.07 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.86 140.68 31.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.546 ' H ' ' H2 ' ' A' ' 1' ' ' VAL . 16.0 p-80 -66.69 144.67 56.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.524 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.5 t -169.56 140.03 2.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -63.33 81.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.24 -75.11 0.34 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.678 0 CA-C-O 118.088 -1.395 . . . . 0.0 110.988 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -155.02 75.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.531 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 3' ' ' MET . 1.7 tmt? -62.53 -51.76 66.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' VAL . 15.7 m -71.51 -36.06 70.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.523 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 54.87 -83.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' SER . 33.9 m -73.93 139.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.5 m -152.86 -10.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.403 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.82 130.33 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 m -154.04 110.82 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.648 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -96.34 104.77 16.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.745 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -71.03 87.39 0.75 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.082 0.468 . . . . 0.0 110.814 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -55.24 147.93 15.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.803 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -71.7 -16.74 62.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.06 14.73 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.14 -14.25 15.98 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -68.25 -168.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.684 0.278 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -162.74 122.88 2.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.577 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.68 148.12 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -143.03 116.85 9.31 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.41 156.61 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 121.077 0.465 . . . . 0.0 111.483 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 64.0 m-85 -98.47 -164.96 1.19 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.538 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -77.31 -19.3 56.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -77.64 -4.44 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.72 -5.44 81.88 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -76.36 145.24 39.61 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 21.4 mtt -82.91 -169.73 2.65 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.061 0.457 . . . . 0.0 111.229 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.2 126.82 1.13 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 86.7 mmm -77.91 141.33 39.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.399 . . . . 0.0 111.506 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' CD ' ' CD2' ' A' ' 62' ' ' LEU . 15.9 mm-40 -147.69 104.09 3.57 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 34' ' ' LYS . 36.1 p-10 -76.94 175.06 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.147 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -54.58 -33.96 61.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.977 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -80.04 12.61 2.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.59 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.39 2.98 17.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 16.1 mtpp -82.16 145.37 30.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 p -79.06 135.92 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.99 114.51 28.68 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -64.35 88.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.964 -179.302 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.53 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 36.1 ttm -104.4 123.43 40.52 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -76.16 163.05 33.39 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.794 1.663 . . . . 0.0 111.935 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -69.49 128.25 35.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 -23.55 7.92 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -70.97 101.9 2.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.282 0.563 . . . . 0.0 109.679 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -66.96 125.16 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.229 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 29.4 mtm -104.56 152.66 22.14 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -134.13 123.24 24.08 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.924 0.392 . . . . 0.0 111.559 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.0 p -65.6 178.65 0.95 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.572 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -67.2 -35.6 79.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.416 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 49' ' ' GLY . 3.1 p30 -73.71 -43.01 60.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.405 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 48' ' ' ASP . . . 129.43 39.23 0.3 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -87.41 135.79 33.19 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -91.68 119.06 31.21 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.5 125.6 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.903 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.405 ' O ' ' SD ' ' A' ' 26' ' ' MET . 12.1 mm -89.04 145.69 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.834 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 11.3 tpt -73.7 88.86 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.201 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -80.09 -46.89 15.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.408 ' O ' ' CE ' ' A' ' 54' ' ' MET . . . -87.84 71.63 2.57 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.538 -178.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.9 t-20 -72.89 -14.72 61.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 60' ' ' PHE . 63.2 mt-10 -78.4 54.45 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.223 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.7 pt -46.03 -19.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.411 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.425 ' N ' ' C ' ' A' ' 58' ' ' GLU . 61.7 t80 -49.17 -28.51 4.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.461 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -52.64 -50.2 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.798 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' CD2' ' CD ' ' A' ' 29' ' ' GLU . 21.6 tp -50.4 -51.15 48.83 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.103 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.07 159.69 5.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.55 -172.77 1.51 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.676 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.521 ' C ' ' H ' ' A' ' 67' ' ' ARG . . . -172.16 39.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tp 64.95 -3.63 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.449 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 65' ' ' ALA . 70.1 mtp85 -72.95 -54.32 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -69.99 -46.57 64.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.544 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.78 -171.28 47.86 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -65.72 -12.42 53.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.353 . . . . 0.0 110.551 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.4 t -59.25 149.39 28.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.536 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -61.55 -36.26 80.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.95 92.95 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.645 0 CA-C-O 117.959 -1.467 . . . . 0.0 110.955 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 57.36 -178.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.465 ' C ' ' H ' ' A' ' 5' ' ' ASN . 12.3 tpt -66.5 -29.21 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.1 m -50.13 -13.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.525 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.465 ' H ' ' C ' ' A' ' 3' ' ' MET . 58.5 t30 -53.13 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.532 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.82 106.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.532 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.3 m -76.06 -165.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.43 141.67 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.5 m -154.35 110.65 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -103.71 115.52 30.64 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.68 98.58 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.374 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -69.09 163.38 24.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.921 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.94 -18.65 53.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 16' ' ' SER . 70.9 m-20 -83.48 16.75 2.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.566 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.49 -15.33 7.51 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 14' ' ' ASP . 92.2 p -74.36 174.8 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.445 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -146.48 123.58 11.46 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 t -79.86 156.12 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.12 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -143.37 117.24 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.23 153.48 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.093 0.473 . . . . 0.0 110.886 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -96.21 -165.96 1.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.339 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -76.96 -18.02 58.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.421 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.33 1.8 35.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.84 -16.55 26.15 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -64.11 146.0 54.96 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.3 mtt -79.35 -172.77 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.301 0.572 . . . . 0.0 111.219 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.94 113.52 0.57 Allowed Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 tpt -85.51 84.38 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 111.261 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -104.75 104.61 14.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.171 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.678 ' ND2' ' H ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -64.24 160.93 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.727 -179.686 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -10.05 56.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.883 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.551 ' N ' HD21 ' A' ' 30' ' ' ASN . 15.7 t80 -80.09 11.45 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.755 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.32 32.63 82.56 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.678 ' H ' ' ND2' ' A' ' 30' ' ' ASN . 65.7 mttm -139.14 161.54 37.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -90.38 119.06 30.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.623 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -95.9 112.66 24.33 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.189 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.7 OUTLIER -65.17 105.23 1.04 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.777 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.405 ' N ' HD21 ' A' ' 37' ' ' ASN . 29.9 ttm -108.7 122.93 38.65 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.916 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.36 144.92 4.17 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.538 1.492 . . . . 0.0 111.799 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -74.06 80.7 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.19 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.37 -15.66 0.16 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.559 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -58.3 129.89 44.12 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 t -83.01 113.5 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.658 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.0 mtm -98.04 135.09 40.23 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -118.63 122.52 42.75 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 110.995 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.2 p -75.88 176.8 7.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -67.76 -38.32 83.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -71.51 -6.32 39.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.201 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.75 32.52 15.01 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.5 m -90.24 116.3 28.11 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.854 0.359 . . . . 0.0 110.199 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -78.73 108.71 12.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.71 124.19 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.006 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.5 ' O ' ' SD ' ' A' ' 26' ' ' MET . 11.8 mm -87.91 145.89 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.01 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.8 tpt -71.84 84.29 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.559 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -75.44 -53.96 7.82 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.418 0.628 . . . . 0.0 110.349 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.9 63.48 2.78 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.908 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.6 t-20 -71.0 -4.15 23.28 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.808 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.478 ' C ' ' H ' ' A' ' 60' ' ' PHE . 55.6 mt-10 -85.8 48.0 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.384 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 pt -46.01 -15.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.766 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.478 ' H ' ' C ' ' A' ' 58' ' ' GLU . 54.5 t80 -49.22 -29.12 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -60.82 -50.01 75.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.4 -51.25 70.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.196 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.06 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.559 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.455 ' OE1' ' CZ ' ' A' ' 60' ' ' PHE . 25.7 mp0 -73.12 -129.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.01 86.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.589 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.536 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 3.3 mm? -73.82 172.38 11.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -72.17 97.3 1.93 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -171.88 7.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.38 -35.77 92.5 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -61.92 -55.09 33.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.506 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 m -66.05 133.1 50.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -173.76 175.45 2.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.47 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.48 96.64 0.01 OUTLIER Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.946 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.411 ' C ' ' OD1' ' A' ' 2' ' ' ASP . 32.7 m . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -145.78 40.4 1.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.524 -179.634 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.495 ' C ' ' H ' ' A' ' 5' ' ' ASN . 1.7 tmt? -67.98 -48.87 64.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.527 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 80.9 p -60.53 -2.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.597 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 4' ' ' SER . 6.7 p30 42.69 60.25 2.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.63 157.04 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.58 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.4 t -148.25 91.91 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -98.98 134.01 42.43 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.154 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 m -146.76 147.32 30.8 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.897 0.38 . . . . 0.0 110.84 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -140.54 98.11 3.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.072 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.71 95.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.218 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.94 161.1 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.068 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -78.91 -16.0 57.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.462 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -83.01 12.97 4.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.25 -12.72 30.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.1 p -84.71 -179.66 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.292 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -148.87 127.63 12.53 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.282 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.82 152.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.525 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -142.69 117.4 9.83 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.708 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.27 156.73 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 121.059 0.457 . . . . 0.0 110.832 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.96 -163.38 1.04 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.132 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -25.02 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.811 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 1.7 p-10 -81.1 6.56 13.33 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.93 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.38 -14.4 34.86 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 121.2 -0.524 . . . . 0.0 111.988 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -64.07 145.77 55.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.079 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.8 mtt -81.52 -179.75 7.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.828 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.01 132.26 3.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.281 -1.127 . . . . 0.0 110.281 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.8 tpt -112.62 112.36 23.82 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.792 0.33 . . . . 0.0 111.148 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -145.35 110.12 5.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.988 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -58.48 173.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.885 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -8.18 59.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.905 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -80.22 5.13 15.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.459 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.26 2.91 74.96 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -105.04 122.14 45.26 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.301 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.6 p -59.86 133.94 56.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.0 mmm -108.93 112.46 24.7 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.518 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -73.33 86.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.467 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 41.6 ttm -86.84 123.05 71.12 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.91 135.35 21.16 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.745 1.63 . . . . 0.0 111.981 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -46.78 127.56 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.648 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.05 -20.46 9.8 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -70.89 74.22 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.4 0.619 . . . . 0.0 109.644 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.5 t -36.63 121.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.565 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 46.2 mtm -104.58 141.06 37.09 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -125.83 122.58 36.53 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.773 0.321 . . . . 0.0 110.886 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.6 p -79.69 162.95 24.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -53.72 -38.24 64.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.349 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -69.42 -4.76 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.87 30.48 35.26 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.2 m -86.7 116.32 24.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.704 0.287 . . . . 0.0 110.378 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -77.77 108.62 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.384 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -126.31 120.49 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.847 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.504 ' O ' ' SD ' ' A' ' 26' ' ' MET . 6.3 mm -84.06 145.53 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.833 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.44 81.19 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.084 0.469 . . . . 0.0 109.801 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -72.04 -76.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.095 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -59.98 72.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.598 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.7 t-20 -70.79 -4.43 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 109.895 179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -81.81 67.24 7.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 30.9 pt -61.66 -12.33 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.715 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.37 -29.17 65.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -55.72 -50.03 71.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tt -52.71 -51.21 61.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 110.14 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 65' ' ' ALA . 1.1 m-20 -50.7 160.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.545 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 66' ' ' LEU . 80.0 mm-40 -52.63 85.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.37 42.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.601 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 64' ' ' GLU . 11.7 mt 56.26 170.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.492 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -62.15 -55.01 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.511 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -72.83 139.66 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.581 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.24 -106.71 0.2 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 55.34 28.49 11.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 110.519 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.7 p 53.06 96.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -63.66 -28.1 69.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.68 81.11 0.1 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.695 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.89 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 3.6 p-10 -175.76 42.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.49 ' C ' ' H ' ' A' ' 5' ' ' ASN . 22.1 ptt? -75.32 -28.12 59.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.8 p -49.53 -12.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.49 ' H ' ' C ' ' A' ' 3' ' ' MET . 25.2 t-20 -46.45 154.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.1 p -57.38 135.62 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.54 178.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.04 145.89 26.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.8 m -154.19 110.87 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.423 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -107.81 102.47 11.68 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.845 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.41 86.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.078 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.35 162.5 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.492 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.04 -21.19 47.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.327 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 16' ' ' SER . 69.8 m-20 -79.23 14.93 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.69 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.9 -15.58 10.03 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 14' ' ' ASP . 58.0 p -71.56 177.82 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.678 0.275 . . . . 0.0 110.389 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -151.64 122.99 7.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.892 0.377 . . . . 0.0 110.502 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.44 148.71 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.32 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.539 ' HE2' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -142.52 117.4 9.93 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.205 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -83.44 156.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.534 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.79 -170.33 1.74 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.5 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' NZ ' ' C ' ' A' ' 68' ' ' LYS . 48.8 mtmt -65.26 -24.86 67.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.638 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.519 ' CG ' HH22 ' A' ' 61' ' ' ARG . 1.4 m-20 -79.08 14.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.625 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.89 3.11 2.24 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 23' ' ' ASP . 87.3 mttt -82.19 145.47 30.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 10.2 mtt -78.47 178.78 7.48 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.407 0.622 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.48 119.38 0.96 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.41 ' H ' HG23 ' A' ' 59' ' ' ILE . 10.3 tpt -87.69 121.0 29.57 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.963 0.411 . . . . 0.0 111.162 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.475 ' OE2' ' N ' ' A' ' 30' ' ' ASN . 9.9 tp10 -144.25 130.1 19.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.745 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.475 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 37.9 p-10 -79.23 -166.41 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.014 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -80.74 -30.6 36.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -80.17 17.14 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.611 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.45 2.93 17.2 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 52.5 tttp -83.65 126.45 32.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.816 0.341 . . . . 0.0 110.418 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.6 m -65.69 124.49 22.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 48.5 mmm -104.51 112.74 25.93 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.523 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -67.15 88.07 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.303 -179.304 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 46.3 ttm -91.83 125.34 57.58 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.79 135.38 19.42 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.834 1.689 . . . . 0.0 112.065 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -46.25 124.94 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.99 -20.23 7.66 Favored Glycine 0 N--CA 1.467 0.735 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -72.83 80.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.482 0.658 . . . . 0.0 109.748 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.8 t -41.5 122.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.401 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 61.2 mtm -103.7 151.64 22.75 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -137.15 126.94 25.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.221 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.6 p -74.8 171.12 14.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.823 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -64.37 -30.46 71.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 49' ' ' GLY . 2.8 p30 -73.21 -44.18 60.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.284 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 48' ' ' ASP . . . 128.7 38.08 0.37 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.417 ' OG1' ' OD1' ' A' ' 48' ' ' ASP . 4.8 m -96.36 129.82 43.61 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -87.07 108.65 18.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.6 122.63 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.629 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' SD ' ' A' ' 26' ' ' MET . 12.8 mm -87.93 144.28 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.069 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.6 tpt -68.51 78.59 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.499 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.75 -73.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.039 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.443 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -64.19 86.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.902 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.2 t-20 -74.89 -4.05 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.654 179.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 58' ' ' GLU . 25.3 mp0 -83.57 78.44 9.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.043 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.41 HG23 ' H ' ' A' ' 28' ' ' MET . 18.6 pt -71.09 -24.42 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.237 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.402 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 58.0 t80 -49.14 -28.94 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.798 0.332 . . . . 0.0 110.382 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.519 HH22 ' CG ' ' A' ' 23' ' ' ASP . 3.5 tpt180 -56.28 -29.06 60.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.546 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.539 ' CD2' ' HE2' ' A' ' 19' ' ' HIS . 16.2 mt -49.48 -27.81 4.67 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.633 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.534 ' CG ' ' H ' ' A' ' 64' ' ' GLU . 17.0 p-10 -49.66 -70.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.666 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.534 ' H ' ' CG ' ' A' ' 63' ' ' ASP . 40.3 tt0 -173.81 140.94 0.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 67' ' ' ARG . . . -79.4 -63.02 1.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.647 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 tp 62.32 -70.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 65' ' ' ALA . 13.7 ptm180 -45.96 144.82 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.641 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' C ' ' NZ ' ' A' ' 22' ' ' LYS . 19.6 ptmt -72.71 -161.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.596 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.91 -103.0 0.16 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 86.4 t60 54.16 97.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.569 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.7 t 56.97 98.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.654 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -171.77 1.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.65 53.91 0.09 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.73 0 CA-C-O 117.966 -1.463 . . . . 0.0 110.941 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 5.9 p-10 -171.08 67.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.539 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.2 ptp -78.4 -29.62 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.6 m -57.0 -37.16 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -164.44 156.26 16.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.497 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 8' ' ' LYS . 2.1 m -57.77 105.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.36 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t 45.13 -89.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.733 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 6' ' ' VAL . 12.1 ttmt -171.25 139.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.55 147.78 28.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.108 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -138.33 102.38 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.883 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -68.34 98.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.725 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mp -70.33 166.7 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.161 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.471 ' C ' ' H ' ' A' ' 15' ' ' GLY . 33.7 mm-40 -78.82 -22.78 45.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.521 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.92 10.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.512 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . 80.83 -10.31 47.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -83.96 -169.15 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.359 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -160.49 132.68 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.441 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -83.67 151.99 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -143.06 117.32 9.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.18 156.34 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.008 0.433 . . . . 0.0 111.27 -179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -94.86 -166.59 1.49 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.603 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -77.43 -21.52 52.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.516 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.58 -4.63 46.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.738 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.37 -16.32 59.2 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -65.9 144.83 56.55 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.87 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.441 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 8.3 mtt -77.4 -174.29 3.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.035 0.445 . . . . 0.0 110.57 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.59 125.14 1.44 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.5 tpt -90.26 81.53 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -105.57 104.57 14.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.284 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.2 p30 -71.83 160.27 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.694 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' H ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -74.59 -1.11 20.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.736 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.11 -4.85 56.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.526 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.21 7.27 87.95 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -122.24 122.05 38.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.825 0.345 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.7 m -59.68 129.77 43.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.529 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.5 mmt -101.91 130.37 48.39 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.049 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -82.35 89.08 6.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.203 -179.385 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 41.8 ttm -95.36 124.19 54.28 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.66 149.24 73.41 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.458 1.439 . . . . 0.0 111.941 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.46 103.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.943 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.81 -16.42 2.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -71.56 100.69 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.333 0.587 . . . . 0.0 109.611 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.5 t -49.28 124.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.953 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 58.0 mtm -108.78 132.61 53.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -122.85 123.72 41.63 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.955 0.407 . . . . 0.0 111.514 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.1 p -84.24 162.21 20.24 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.018 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 mtp-105 -59.53 -38.33 80.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.385 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -65.08 -6.8 9.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.088 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.39 34.2 20.68 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.0 m -97.69 116.33 29.69 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -79.69 108.62 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.632 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pt -119.81 149.1 22.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.567 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.2 mm -107.18 145.47 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.5 tpt -70.66 83.72 0.62 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -72.08 -70.63 0.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.607 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.441 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.96 84.45 0.11 Allowed Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.811 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.3 t-20 -76.49 -4.19 41.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -83.32 75.51 9.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.412 HG22 HD12 ' A' ' 59' ' ' ILE . 13.6 pt -73.27 -33.35 40.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.015 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 32.2 p90 -49.22 -28.85 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.623 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 8.2 tpm_? -53.09 -40.43 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.556 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 tp -50.53 -29.89 11.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.798 0.333 . . . . 0.0 110.456 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -59.41 112.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.54 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 55.46 105.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.512 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.41 26.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' CG ' ' H ' ' A' ' 67' ' ' ARG . 6.2 tp 51.45 -130.85 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' H ' ' CG ' ' A' ' 66' ' ' LEU . 56.2 ttp180 -172.09 -48.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.668 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -49.79 144.33 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.16 96.85 0.11 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 86.4 t60 -171.22 9.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' GLY . 28.7 t -171.16 -81.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.589 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -58.85 85.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -65.92 -86.73 0.07 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 118.1 -1.389 . . . . 0.0 110.949 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.402 ' C ' ' OD1' ' A' ' 2' ' ' ASP . 27.6 m . . . . . 0 N--CA 1.496 1.841 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 1.6 p-10 -175.36 -27.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.495 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 3' ' ' MET . 1.8 mpt? -68.61 -48.9 62.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.599 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.442 ' C ' ' H ' ' A' ' 6' ' ' VAL . 68.9 m -63.57 -2.93 1.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.434 ' H ' ' C ' ' A' ' 3' ' ' MET . 56.8 m-20 57.18 8.69 0.58 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.618 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.442 ' H ' ' C ' ' A' ' 4' ' ' SER . 14.0 p -69.99 138.05 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.3 151.32 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.662 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -98.98 141.28 31.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.466 ' CG2' ' HZ3' ' A' ' 17' ' ' LYS . 40.2 m -154.28 124.5 6.88 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.876 0.369 . . . . 0.0 111.683 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -116.41 91.18 3.51 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -55.06 96.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.835 0.35 . . . . 0.0 110.221 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' O ' ' NH1' ' A' ' 47' ' ' ARG . 1.1 mp -63.44 164.9 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' NE2' ' CD ' ' A' ' 45' ' ' GLU . 3.7 pt20 -78.93 -14.42 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.703 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' OD2' ' OG ' ' A' ' 16' ' ' SER . 1.1 p-10 -97.63 19.06 14.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.47 -19.4 7.11 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.426 ' OG ' ' OD2' ' A' ' 14' ' ' ASP . 26.9 m -63.4 165.91 7.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.691 0.281 . . . . 0.0 110.354 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.523 ' O ' ' CE1' ' A' ' 19' ' ' HIS . 13.4 mtpp -136.46 122.9 20.75 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -87.06 152.16 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.84 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -143.26 116.92 9.22 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.506 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -107.06 138.64 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.664 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CD1' ' NE ' ' A' ' 61' ' ' ARG . 28.9 m-85 -88.6 171.77 9.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.273 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' C ' ' H ' ' A' ' 24' ' ' GLY . 61.2 tttp -55.61 -20.4 13.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.66 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' A' ' 25' ' ' LYS . 3.5 m-20 -77.5 10.11 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.005 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 22' ' ' LYS . . . 69.34 -13.14 1.13 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 23' ' ' ASP . 20.1 mmmt -64.02 145.05 56.57 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 5.5 mtt -88.77 -176.35 5.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.328 0.585 . . . . 0.0 111.129 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -141.47 -172.89 13.49 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 tpt -170.48 134.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.872 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 33' ' ' GLY . 31.8 tt0 -155.25 115.5 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.547 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.434 ' C ' ' N ' ' A' ' 32' ' ' PHE . 30.9 p30 -63.44 160.27 16.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -15.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.643 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 30' ' ' ASN . 92.4 m-85 -80.28 3.9 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' OE2' ' A' ' 29' ' ' GLU . . . 69.4 2.98 37.08 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -95.49 139.52 31.65 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.508 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -63.6 110.64 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.42 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -87.17 112.69 22.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.496 -179.749 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.507 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -62.01 85.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.373 179.679 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.2 ttm -90.58 124.21 63.16 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.29 139.52 35.25 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.319 1.346 . . . . 0.0 111.73 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.37 100.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.945 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.35 -24.38 0.77 Allowed Glycine 0 CA--C 1.525 0.696 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.306 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -67.35 137.01 55.68 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.151 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.8 t -83.9 124.92 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.899 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.64 145.91 27.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' CD ' ' NE2' ' A' ' 13' ' ' GLN . 63.7 tt0 -136.59 122.6 20.2 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.603 -178.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 p -84.07 165.29 18.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.773 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 12' ' ' LEU . 63.8 mtt85 -64.52 -38.37 90.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.199 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.18 -8.01 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.186 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.99 46.28 6.74 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.7 m -111.21 123.75 50.82 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HZ1' ' CB ' ' A' ' 51' ' ' LYS . 2.9 ttmp? -80.12 128.31 33.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.157 0.503 . . . . 0.0 110.609 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -136.86 139.64 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.059 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.5 ' O ' ' SD ' ' A' ' 26' ' ' MET . 26.0 mm -107.04 141.54 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.401 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 6.9 tpt -63.1 89.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.602 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -80.9 -59.9 2.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.966 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.412 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -79.01 87.85 1.17 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.9 t-20 -72.26 -13.93 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.677 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.525 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 48.7 mt-10 -82.65 64.98 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.382 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.22 -11.98 15.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.928 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -48.72 -28.89 3.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.454 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.525 ' NH1' ' O ' ' A' ' 58' ' ' GLU . 21.1 ptt-85 -63.73 -32.52 74.05 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.769 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.47 -51.26 48.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.997 0.427 . . . . 0.0 109.895 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' ALA . 17.3 m-20 -71.34 162.81 28.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.487 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.44 ' CD ' ' N ' ' A' ' 64' ' ' GLU . 4.9 mp0 54.47 -84.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.527 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 55.94 27.19 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.5 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 65' ' ' ALA . 0.8 OUTLIER 28.3 -146.48 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.698 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -171.86 80.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.561 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -131.01 -10.19 3.82 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.348 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.41 166.38 0.18 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.499 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 49.2 p-80 -68.33 78.85 0.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.745 0.307 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.1 t -57.64 140.05 52.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.533 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 54.63 82.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.57 99.26 0.12 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.713 0 CA-C-O 118.021 -1.433 . . . . 0.0 110.992 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.513 ' H1 ' ' CE1' ' A' ' 70' ' ' HIS . 3.6 m . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 3.0 p-10 -161.01 140.2 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.445 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.502 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 14.5 ptp -60.38 -30.54 69.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.568 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 t -48.65 -52.81 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 3' ' ' MET . 54.5 m-80 44.37 -159.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.763 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.0 p -60.66 157.17 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.453 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.6 t -148.81 80.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -99.09 134.51 41.83 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 4.3 t -154.72 148.24 25.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.068 0.461 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 9' ' ' THR . 14.4 m-85 -141.59 108.69 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.638 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.65 97.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.8 0.333 . . . . 0.0 110.957 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.34 154.42 41.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.943 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.496 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 20.8 t70 -84.44 12.94 6.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.535 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.07 -23.51 5.97 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 m -81.67 -168.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -162.95 146.62 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.6 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -103.29 127.65 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.071 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER -117.66 117.28 28.94 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.752 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -92.73 151.43 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.241 0.543 . . . . 0.0 112.046 -177.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -92.63 -165.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -77.39 -16.33 58.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.383 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -78.46 -4.46 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.39 -8.94 65.91 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -75.82 145.76 40.41 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.52 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 36.3 mtt -86.2 -167.97 2.06 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -178.46 111.92 0.35 Allowed Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 84.4 mmm -58.92 155.69 12.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.031 0.443 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -157.19 103.67 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.835 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 34' ' ' LYS . 34.6 p30 -84.09 153.0 24.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.773 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -62.68 -4.5 2.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.754 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.414 ' H ' ' C ' ' A' ' 30' ' ' ASN . 14.4 t80 -80.51 13.73 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.655 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.8 12.51 64.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' O ' ' OD1' ' A' ' 30' ' ' ASN . 68.8 mmtt -131.85 175.04 9.54 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.831 0.348 . . . . 0.0 110.272 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.479 ' OG ' ' N ' ' A' ' 36' ' ' MET . 11.3 t -91.05 177.47 6.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.479 ' N ' ' OG ' ' A' ' 35' ' ' SER . 6.5 mmt -142.14 122.68 14.13 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.537 HD21 ' N ' ' A' ' 38' ' ' MET . 1.2 t-20 -64.77 123.76 20.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.593 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.537 ' N ' HD21 ' A' ' 37' ' ' ASN . 38.9 ttm -136.88 121.69 12.68 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.462 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.31 136.77 16.24 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.659 1.573 . . . . 0.0 111.79 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.2 127.57 10.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.21 -24.56 6.94 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -69.92 99.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.327 0.584 . . . . 0.0 109.777 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 t -61.99 124.9 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.0 mtm -106.94 137.1 45.64 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -107.48 122.34 46.44 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.735 0.302 . . . . 0.0 110.945 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.2 p -79.11 165.29 23.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.46 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -54.34 -35.22 62.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.498 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -79.34 -4.07 49.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.429 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.23 31.9 36.84 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.5 m -85.38 132.2 34.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.771 0.319 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -83.44 117.26 22.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.94 0.4 . . . . 0.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -134.04 125.07 47.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.462 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.52 ' O ' ' SD ' ' A' ' 26' ' ' MET . 7.4 mm -91.19 138.32 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.749 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 10.6 tpt -65.98 105.72 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.065 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -96.58 -44.26 7.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.424 ' O ' ' CE ' ' A' ' 54' ' ' MET . . . -90.89 75.47 1.61 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.265 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.2 t-20 -70.26 -14.91 62.81 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.616 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' A' ' 60' ' ' PHE . 50.4 mt-10 -80.05 55.77 2.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.155 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.402 HD12 HG22 ' A' ' 59' ' ' ILE . 7.6 pt -46.39 -12.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.014 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.52 ' H ' ' C ' ' A' ' 58' ' ' GLU . 95.6 m-85 -48.98 -29.04 4.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.65 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -57.75 -50.14 74.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.751 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.1 tp -59.13 -51.13 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.401 . . . . 0.0 110.416 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -64.13 111.6 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -171.59 -130.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.312 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -177.33 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.412 ' CD2' ' H ' ' A' ' 66' ' ' LEU . 0.2 OUTLIER -83.22 71.35 10.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.249 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.8 ptm85 -71.95 135.96 46.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -173.55 160.73 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.419 ' O ' ' OD1' ' A' ' 5' ' ' ASN . . . 160.96 174.48 30.86 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.513 ' CE1' ' H1 ' ' A' ' 1' ' ' VAL . 84.2 t60 -171.88 -67.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.571 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 t -172.21 -25.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.24 -61.92 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 57.74 -92.41 0.03 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 117.944 -1.476 . . . . 0.0 111.008 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 3' ' ' MET . 2.5 p-10 -174.03 -98.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.497 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 75.7 mmm -52.16 -28.27 17.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.541 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -53.79 -28.5 35.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.594 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -159.93 108.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 7' ' ' VAL . 33.0 m -131.2 144.46 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 6' ' ' VAL . 6.8 t 60.13 140.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.679 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -172.48 142.22 1.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.538 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m -154.14 110.82 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.491 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -103.94 110.27 22.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.031 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.16 96.36 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 0.0 111.015 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mp -73.13 161.8 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.038 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -78.96 -17.41 55.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.588 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -81.81 14.06 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.433 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.29 -9.79 25.16 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 p -80.61 -176.83 5.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.773 0.32 . . . . 0.0 110.45 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -152.24 123.26 7.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.212 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.22 153.52 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.669 -0.412 . . . . 0.0 109.934 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -143.04 116.96 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -91.5 156.83 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.976 0.417 . . . . 0.0 110.726 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -102.69 -165.53 1.19 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.341 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -71.73 -26.06 62.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.634 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.503 ' C ' ' H ' ' A' ' 25' ' ' LYS . 4.0 m-20 -79.29 11.07 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.54 -11.54 2.27 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 23' ' ' ASP . 34.8 mtmt -64.23 145.59 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 8.1 mtt -80.38 176.46 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.437 0.637 . . . . 0.0 111.107 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.66 124.02 1.65 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.6 tpt -91.75 78.87 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 111.266 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -99.45 104.56 16.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.26 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.697 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -67.78 160.75 27.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.872 0.368 . . . . 0.0 110.715 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -2.44 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -80.31 13.53 2.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.48 25.19 72.62 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.697 ' H ' HD22 ' A' ' 30' ' ' ASN . 98.4 mttt -139.06 169.23 18.16 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.813 0.339 . . . . 0.0 110.391 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.58 ' HG ' ' CD1' ' A' ' 62' ' ' LEU . 19.7 t -98.6 124.01 43.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -97.24 112.59 24.33 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.522 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.3 OUTLIER -69.46 87.9 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.514 -179.269 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 39.1 ttm -91.13 125.03 59.94 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.57 134.52 22.45 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.564 1.509 . . . . 0.0 112.018 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.35 131.63 10.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.673 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.02 -21.52 15.58 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -70.34 87.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 t -51.26 126.84 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.536 -179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.5 mtm -109.92 139.7 44.72 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 46' ' ' THR . 8.1 tp10 -123.37 122.71 38.99 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.523 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 27.4 p -80.7 156.2 26.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -58.35 -27.11 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.544 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.37 -4.49 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 109.974 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.27 16.83 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.474 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 21.3 m -111.04 116.2 30.76 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.83 115.1 20.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.459 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pt -126.95 126.21 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.79 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.488 ' O ' ' SD ' ' A' ' 26' ' ' MET . 65.7 mt -88.44 145.41 7.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 tpt -70.76 82.06 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.155 0.503 . . . . 0.0 109.672 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -72.61 -65.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.663 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.419 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -71.17 70.81 0.79 Allowed Glycine 0 CA--C 1.526 0.753 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.823 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.3 t-20 -69.27 -4.56 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.479 -0.488 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -82.17 61.44 5.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.133 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.6 pt -54.9 -18.97 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.855 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -49.08 -28.71 4.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -52.75 -31.64 39.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.58 ' CD1' ' HG ' ' A' ' 35' ' ' SER . 20.4 mt -50.33 -30.74 12.77 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.208 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.25 163.53 27.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.578 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -61.66 126.51 27.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.571 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.448 ' C ' ' H ' ' A' ' 67' ' ' ARG . . . -170.91 64.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.457 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.2 44.56 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.483 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.448 ' H ' ' C ' ' A' ' 65' ' ' ALA . 16.9 ptm180 -62.32 148.03 46.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.666 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' NZ ' ' CB ' ' A' ' 68' ' ' LYS . 9.1 mtmp? -68.05 84.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.29 -160.04 5.76 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.9 t60 54.02 96.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 110.667 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.5 p -171.06 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 54.66 83.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.559 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.78 81.99 0.06 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.825 0 CA-C-O 118.038 -1.423 . . . . 0.0 110.9 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.415 ' H1 ' ' CE1' ' A' ' 70' ' ' HIS . 22.0 t . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.498 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 3.6 p-10 -178.09 -29.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.5 tpt -73.84 -49.15 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.522 ' CB ' ' HZ1' ' A' ' 22' ' ' LYS . 45.9 t -75.25 -2.83 29.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -56.49 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.567 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.63 124.81 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -91.78 177.34 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.593 ' NZ ' ' CZ ' ' A' ' 10' ' ' TYR . 17.0 tptp -99.14 152.03 20.32 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.127 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -154.11 145.19 22.77 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.913 0.387 . . . . 0.0 111.35 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.593 ' CZ ' ' NZ ' ' A' ' 8' ' ' LYS . 46.4 m-85 -141.81 98.31 3.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.741 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.38 97.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.44 158.91 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.871 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -78.91 -13.96 59.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -84.0 11.36 7.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.55 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.58 -13.38 52.49 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 t -87.21 179.93 6.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.349 . . . . 0.0 110.547 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -147.51 128.58 14.59 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.932 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 t -81.45 157.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.97 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -142.45 116.89 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -106.18 142.42 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.094 0.473 . . . . 0.0 111.264 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -84.45 -172.98 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.957 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.522 ' HZ1' ' CB ' ' A' ' 4' ' ' SER . 58.7 mttp -72.77 -18.66 61.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.392 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -77.64 -0.56 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.162 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.11 -15.99 35.7 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -64.32 145.34 56.19 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.2 mtt -85.66 -177.29 6.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.048 0.452 . . . . 0.0 110.923 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.53 120.7 1.0 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.1 tpt -93.27 88.01 5.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 110.965 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -106.45 110.36 22.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.832 0.349 . . . . 0.0 110.324 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.726 HD22 ' H ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -71.78 143.05 49.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.518 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -63.13 -2.71 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.283 -179.568 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.594 ' N ' HD21 ' A' ' 30' ' ' ASN . 11.7 t80 -80.64 16.26 1.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.602 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.17 20.12 76.28 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.726 ' H ' HD22 ' A' ' 30' ' ' ASN . 67.4 mttm -139.12 -178.92 5.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.437 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.562 ' HG ' ' H ' ' A' ' 36' ' ' MET . 8.6 t -106.97 169.77 8.35 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.609 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.562 ' H ' ' HG ' ' A' ' 35' ' ' SER . 16.2 mmt -142.97 112.75 6.96 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.964 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.7 OUTLIER -65.9 89.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.433 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 32.3 ttm -92.59 116.07 65.87 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.778 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.04 153.06 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.887 1.725 . . . . 0.0 112.196 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -78.48 84.71 4.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.17 -14.02 0.55 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -66.46 80.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.367 0.603 . . . . 0.0 109.606 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.2 t -39.05 128.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.91 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.1 mtm -111.69 136.62 50.68 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -116.32 122.6 45.37 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.738 0.304 . . . . 0.0 110.961 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.7 p -79.8 160.27 26.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.643 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -55.01 -31.88 61.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.557 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.3 -4.81 44.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.206 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.19 29.54 37.03 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.7 m -86.79 116.34 24.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -76.65 108.61 9.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -128.7 121.11 54.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.676 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 55' ' ' LYS . 62.5 mt -90.17 138.15 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.233 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.1 tpt -60.29 78.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.791 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 53' ' ' ILE . 11.7 ttmm -71.24 -66.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.568 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' A' ' 58' ' ' GLU . . . -70.19 58.09 0.83 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.393 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.4 t-20 -56.12 -10.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.277 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 56' ' ' GLY . 57.2 mt-10 -78.47 76.89 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.499 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.407 HG22 HD11 ' A' ' 59' ' ' ILE . 18.0 pt -73.02 -12.38 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.426 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 97.6 m-85 -57.78 -29.14 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 61' ' ' ARG . 9.5 mpt_? -59.0 -50.05 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.427 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.2 -51.34 66.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.183 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 60' ' ' PHE . 6.4 p30 -82.5 34.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -172.07 83.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.627 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 45.71 -162.61 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.582 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.79 177.62 7.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -85.55 117.25 24.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -78.0 85.22 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.524 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.76 -112.26 0.01 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.415 ' CE1' ' H1 ' ' A' ' 1' ' ' VAL . 69.6 t60 55.84 67.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.594 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.715 ' HG ' ' H ' ' A' ' 72' ' ' GLU . 23.0 t -172.51 -174.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.462 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.715 ' H ' ' HG ' ' A' ' 71' ' ' SER . 63.9 mt-10 -60.28 -36.92 78.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -177.7 -96.86 0.1 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.712 0 CA-C-O 118.023 -1.431 . . . . 0.0 110.925 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.676 0.274 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 m -154.21 110.98 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -102.94 109.81 21.5 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.942 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -61.26 96.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 111.072 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -69.68 159.7 32.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.941 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -76.63 -18.01 58.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.429 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -82.44 15.26 2.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.05 -21.48 5.74 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -79.38 -172.32 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.489 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -162.91 123.72 2.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.43 HG23 ' H ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -73.75 156.19 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -140.97 117.15 10.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.88 156.38 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.171 0.51 . . . . 0.0 111.349 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -100.12 -162.96 0.99 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.152 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -73.22 -30.22 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.71 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.485 ' C ' ' H ' ' A' ' 25' ' ' LYS . 40.9 t0 -77.65 15.67 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.089 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.59 -10.99 1.28 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 23' ' ' ASP . 35.5 mmtm -63.95 145.57 55.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 10.7 mtt -81.21 177.4 9.04 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 111.152 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.1 110.23 0.44 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.0 tpt -79.71 87.45 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.426 . . . . 0.0 111.112 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -108.47 112.82 25.42 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.138 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.828 HD21 ' HG2' ' A' ' 36' ' ' MET . 23.8 p30 -71.88 148.11 46.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.886 0.374 . . . . 0.0 110.661 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.478 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -66.11 -4.99 8.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.208 -179.521 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -80.46 18.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.701 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.56 24.47 72.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HB2' HD22 ' A' ' 30' ' ' ASN . 93.8 mttt -139.14 176.75 8.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 110.285 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 m -107.58 156.96 18.46 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.64 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.828 ' HG2' HD21 ' A' ' 30' ' ' ASN . 64.6 mmm -135.67 112.77 10.41 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.733 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -67.69 92.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.1 ttm -90.8 127.9 50.33 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.55 129.96 18.75 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.436 1.424 . . . . 0.0 112.102 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 4.1 tm-20 -43.77 137.27 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.917 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.466 ' N ' ' OE2' ' A' ' 40' ' ' GLU . . . 99.68 -14.8 60.3 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.781 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -69.14 81.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.541 0.686 . . . . 0.0 109.551 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 43' ' ' VAL . 14.6 t -40.96 123.59 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.683 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.7 mtm -107.05 137.96 44.14 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -118.84 122.69 42.95 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.818 0.342 . . . . 0.0 111.054 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -75.61 169.57 17.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.604 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -61.87 -37.32 84.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.291 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -72.53 -6.32 43.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.395 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.07 31.72 22.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 m -88.43 116.4 26.63 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.857 0.36 . . . . 0.0 110.145 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -75.34 114.53 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 pt -134.27 117.9 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.561 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.495 ' O ' ' SD ' ' A' ' 26' ' ' MET . 67.8 mt -86.32 142.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.01 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 tpt -65.58 82.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.668 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.469 ' HZ2' ' HA ' ' A' ' 25' ' ' LYS . 25.2 ttpp -68.28 -67.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.195 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.449 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -74.61 77.59 1.07 Allowed Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.816 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -70.89 -8.4 52.57 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.8 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -77.91 76.71 4.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.235 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.9 pt -70.93 -12.24 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.723 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -51.0 -28.99 11.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -52.94 -47.92 67.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.699 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.091 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.722 0.296 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 m -154.19 110.93 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.766 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -103.4 115.38 30.43 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.929 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.01 93.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.499 HD13 HG23 ' A' ' 18' ' ' VAL . 1.6 mp -69.51 160.39 31.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.221 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -78.9 -17.2 55.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.516 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.5 15.35 2.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.79 -12.12 12.15 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 m -77.82 -178.27 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.499 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -152.01 123.53 7.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.099 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.499 HG23 HD13 ' A' ' 12' ' ' LEU . 1.9 t -78.7 152.88 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.993 0.425 . . . . 0.0 110.03 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -142.94 117.08 9.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 26' ' ' MET . 1.0 OUTLIER -96.27 147.43 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 120.994 0.426 . . . . 0.0 111.067 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -86.93 -166.43 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.613 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -77.4 -20.95 53.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -77.61 -0.02 24.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.461 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.94 -15.79 41.16 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -64.25 144.53 57.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.465 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 6.4 mtt -78.07 -173.7 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.055 0.455 . . . . 0.0 110.337 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.33 122.07 1.08 Allowed Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 tpt -87.76 80.69 7.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 0.0 110.97 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -106.88 111.56 24.12 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.374 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 32' ' ' PHE . 14.4 p30 -71.52 163.24 28.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.706 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.584 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -85.3 1.46 48.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.704 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.499 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 9.7 t80 -80.44 8.34 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.677 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.52 14.48 78.18 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 9.8 mtpm? -138.89 -179.76 6.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.736 0.303 . . . . 0.0 110.2 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.5 m -106.34 170.79 7.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.003 0.43 . . . . 0.0 110.804 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.428 ' HG2' HD22 ' A' ' 30' ' ' ASN . 13.9 mmt -142.21 113.54 7.7 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.674 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -68.56 94.92 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.37 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 44.3 ttm -102.99 125.35 35.57 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.34 158.33 54.63 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.54 1.493 . . . . 0.0 111.966 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -70.28 107.98 3.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.92 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.75 -19.09 2.76 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -72.4 76.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.3 t -41.48 124.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.103 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 30.9 mtm -106.34 137.95 43.4 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -116.4 122.73 45.69 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.832 0.348 . . . . 0.0 110.843 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.2 p -80.73 160.35 24.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.725 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 12' ' ' LEU . 68.5 mtt85 -54.01 -38.2 64.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.458 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -68.96 -5.83 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.347 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.8 32.39 30.03 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.7 m -93.24 116.44 29.01 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.697 0.284 . . . . 0.0 110.411 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -76.71 116.69 17.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.502 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 pt -132.85 124.62 50.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.629 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.8 mt -86.84 145.39 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.759 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 tpt -69.22 82.34 0.35 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -72.73 -70.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.107 0.479 . . . . 0.0 110.503 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.47 77.35 0.13 Allowed Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.435 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -74.78 -4.27 36.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.414 . . . . 0.0 110.19 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -83.84 70.92 10.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.9 pt -67.32 -22.4 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.62 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -53.62 -29.09 36.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -53.87 -41.17 67.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.525 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.736 0.303 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.5 m -154.29 111.02 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.813 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -102.35 119.51 38.94 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -70.67 97.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.003 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.51 153.0 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.17 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -79.02 -9.25 59.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.198 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -83.86 7.61 17.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.298 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.36 -19.56 39.04 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.5 m -90.8 -166.76 1.65 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.761 0.315 . . . . 0.0 110.536 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -162.82 137.06 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.266 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -86.65 157.67 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.76 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -142.31 117.21 9.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.79 152.05 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.906 0.384 . . . . 0.0 110.96 -178.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -92.34 -167.03 1.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.207 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.32 -14.67 59.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.555 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.48 0.45 52.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.759 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.13 -17.74 35.84 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -64.21 145.87 55.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.9 mtt -80.08 -178.54 6.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.418 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -158.78 109.54 0.41 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.405 ' H ' HG22 ' A' ' 59' ' ' ILE . 11.4 tpt -81.68 89.19 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 111.212 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -103.85 104.49 14.49 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.196 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' A' ' 32' ' ' PHE . 17.3 p30 -70.8 138.53 50.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.646 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -55.89 -2.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 30' ' ' ASN . 7.9 t80 -80.31 4.65 17.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.824 0.345 . . . . 0.0 110.551 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.3 25.34 68.66 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 51.5 mtpt -139.21 166.21 25.13 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.489 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 m -93.54 121.56 35.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.467 ' SD ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -93.38 124.72 37.56 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.215 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' N ' ' SD ' ' A' ' 36' ' ' MET . 36.5 t-20 -78.37 88.48 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.541 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.0 ttm -93.02 114.48 62.8 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.197 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -47.3 147.22 6.03 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.709 1.606 . . . . 0.0 111.662 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 6.5 pt-20 -70.32 114.85 8.86 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.935 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . 124.29 -17.7 7.44 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -64.75 77.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.536 0.684 . . . . 0.0 109.516 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' GLY . 12.9 t -39.69 129.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.866 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.8 mtm -111.58 139.06 47.33 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -111.23 122.77 48.74 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.944 0.402 . . . . 0.0 111.297 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.7 p -80.2 173.97 12.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.57 -38.25 83.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.184 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -73.22 -2.83 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.433 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.4 35.87 25.14 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.9 m -91.55 124.38 35.67 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.297 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -82.27 108.61 15.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.437 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.85 123.42 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.593 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' A' ' 55' ' ' LYS . 50.4 mt -91.53 133.08 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.5 tpt -58.67 80.18 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 53' ' ' ILE . 33.0 ttpt -70.84 -66.69 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.514 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.456 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -67.41 62.13 0.27 Allowed Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.553 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -64.51 -4.16 3.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.01 0.433 . . . . 0.0 109.883 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 60' ' ' PHE . 17.4 pt-20 -85.01 54.15 2.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.351 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 28' ' ' MET . 13.7 pt -46.48 -13.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 58' ' ' GLU . 90.4 m-85 -49.09 -29.08 4.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.547 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -53.02 -50.08 64.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.76 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.141 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 m -154.3 110.7 3.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.945 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -103.02 121.84 43.39 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.13 97.41 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.367 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.42 163.17 23.86 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.9 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -78.73 -18.5 54.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.51 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -83.94 16.84 2.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.438 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.26 -11.15 9.08 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -75.15 -179.0 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.544 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -151.77 124.7 8.57 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.197 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -84.26 155.72 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -142.98 117.54 9.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.51 151.66 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.024 0.44 . . . . 0.0 110.986 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -93.7 -174.46 3.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.953 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.51 -20.6 62.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.438 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -77.67 -0.43 26.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.121 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 -14.52 43.94 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.77 145.5 55.91 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.483 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 2.1 mtm -80.0 -172.38 3.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.06 0.457 . . . . 0.0 110.613 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.413 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -164.16 120.7 0.96 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.405 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.5 tpt -87.76 87.04 7.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 110.854 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.433 ' OE2' HD23 ' A' ' 62' ' ' LEU . 31.3 mt-10 -107.31 104.64 14.29 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.332 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.559 HD22 ' HB3' ' A' ' 32' ' ' PHE . 45.5 p-10 -66.52 179.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.6 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -10.69 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.056 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.559 ' HB3' HD22 ' A' ' 30' ' ' ASN . 4.0 t80 -80.25 11.56 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.606 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.91 2.89 40.75 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -102.2 -177.91 3.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.771 0.319 . . . . 0.0 110.341 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -116.96 120.38 38.22 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.391 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.2 mmt -91.13 115.83 28.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.346 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -65.86 92.09 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 34.2 ttm -98.31 116.63 65.48 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.963 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.3 155.29 0.41 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.799 1.666 . . . . 0.0 112.139 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -79.74 87.31 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.353 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.45 -9.97 0.6 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -73.17 79.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.511 0.672 . . . . 0.0 109.868 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 43' ' ' VAL . 5.8 t -36.87 129.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.876 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.8 mtm -114.13 134.35 54.95 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -114.46 122.86 47.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.815 0.34 . . . . 0.0 111.237 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.3 p -77.37 170.63 16.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.673 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -65.65 -38.24 88.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.47 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.6 -1.89 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.19 40.74 13.06 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -100.37 120.34 39.8 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.782 0.325 . . . . 0.0 110.232 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -81.26 108.59 15.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.037 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 pt -125.77 125.53 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.0 mm -89.45 145.6 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.6 tpt -69.36 77.78 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -71.73 -62.72 1.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.144 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.483 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -70.41 48.43 0.73 Allowed Glycine 0 CA--C 1.526 0.764 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.665 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -53.36 -12.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.185 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' C ' ' N ' ' A' ' 60' ' ' PHE . 17.9 mm-40 -78.9 52.7 1.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.626 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 28' ' ' MET . 23.5 pt -49.36 -12.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.676 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.468 ' N ' ' C ' ' A' ' 58' ' ' GLU . 59.7 t80 -49.09 -29.1 4.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.758 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -53.94 -50.29 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.952 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.491 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.243 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.714 0.292 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.5 m -154.19 110.74 3.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.764 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -101.36 105.51 16.57 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.584 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.47 ' OD2' ' NZ ' ' A' ' 17' ' ' LYS . 1.1 m-20 -67.65 85.52 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 111.257 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 HG23 ' A' ' 18' ' ' VAL . 2.2 mp -58.44 160.33 5.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.057 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -77.72 -18.96 56.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.549 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -80.39 12.71 2.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.517 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.59 -12.79 26.13 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -74.77 -178.55 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.499 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' NZ ' ' OD2' ' A' ' 11' ' ' ASP . 66.7 mttm -151.54 122.81 7.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.476 HG23 HD13 ' A' ' 12' ' ' LEU . 2.0 t -81.08 155.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.137 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -143.01 116.98 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.33 156.37 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.969 0.414 . . . . 0.0 110.703 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -99.63 -162.01 0.92 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.456 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -75.03 -29.93 60.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.723 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 25' ' ' LYS . 38.1 t0 -77.7 16.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.79 -9.13 1.47 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 23' ' ' ASP . 41.7 mmtt -64.21 145.37 56.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.539 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 7.2 mtt -80.59 178.4 8.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.348 0.594 . . . . 0.0 111.231 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.51 125.86 1.84 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 tpt -93.09 83.82 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 111.821 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 17' ' ' LYS . 69.6 tt0 -110.25 109.07 19.4 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.75 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.593 HD22 ' HB3' ' A' ' 32' ' ' PHE . 7.1 p-10 -59.68 -166.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.795 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.437 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -81.46 -25.77 35.8 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.323 -179.617 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.593 ' HB3' HD22 ' A' ' 30' ' ' ASN . 39.3 t80 -84.67 18.61 2.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.798 0.332 . . . . 0.0 110.677 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.32 2.66 15.39 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HB2' ' HZ3' ' A' ' 34' ' ' LYS . 9.8 ttmm -81.83 133.04 35.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.292 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.637 ' OG ' HD12 ' A' ' 59' ' ' ILE . 5.3 t -82.51 112.3 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mtp -93.57 112.73 24.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.867 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' HA ' HD13 ' A' ' 59' ' ' ILE . 30.6 t-20 -64.68 92.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.645 -179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.4 ttm -98.66 126.25 39.69 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.96 157.88 58.55 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.549 1.499 . . . . 0.0 112.082 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -71.37 100.34 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.829 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.73 -19.5 1.13 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -72.3 84.36 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.446 0.641 . . . . 0.0 109.764 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 43' ' ' VAL . 4.4 t -44.71 123.58 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.207 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.1 mtm -103.18 153.39 20.39 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -136.93 126.43 25.15 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.999 0.428 . . . . 0.0 111.502 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.586 HG23 HD11 ' A' ' 52' ' ' ILE . 13.5 p -74.99 165.74 24.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.707 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.452 ' NH1' ' OD1' ' A' ' 48' ' ' ASP . 39.9 ptt85 -53.95 -38.2 64.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.336 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.452 ' OD1' ' NH1' ' A' ' 47' ' ' ARG . 61.1 m-20 -68.63 -44.73 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.306 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 127.32 34.05 0.59 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 m -84.84 135.6 34.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.33 . . . . 0.0 110.199 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -88.18 108.65 19.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.586 HD11 HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -128.11 118.69 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.715 179.332 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' LYS . 12.2 mm -85.55 145.34 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.194 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.19 75.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' ILE . 3.1 tppp? -63.31 -74.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.03 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.539 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.18 77.34 0.12 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.088 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -69.95 -4.09 19.06 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -82.7 74.52 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.244 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.637 HD12 ' OG ' ' A' ' 35' ' ' SER . 13.0 pt -73.21 -31.03 32.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.318 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 30.3 p90 -49.15 -29.09 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.618 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.427 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 9.2 tpt180 -53.45 -36.22 61.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.28 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.425 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HZ2' HG11 ' A' ' 20' ' ' VAL . 2.4 tppp? . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.716 0.293 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.2 m -154.19 111.09 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.772 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.41 105.55 15.53 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.1 85.36 0.73 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.87 0.367 . . . . 0.0 110.998 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.443 HD13 HG23 ' A' ' 18' ' ' VAL . 1.9 mp -56.63 161.87 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.723 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -79.0 -19.41 51.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.54 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -78.44 13.93 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.44 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.57 -7.18 20.43 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.5 p -74.7 -168.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.432 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -160.4 122.65 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.24 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 27' ' ' GLY . 1.4 t -95.41 149.14 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 119.16 11.09 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG11 ' HZ2' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -85.7 156.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.033 0.444 . . . . 0.0 111.108 -178.557 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -99.4 -164.16 1.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.372 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -74.83 -24.28 58.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -80.12 12.52 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.609 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.9 -11.48 1.9 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 23' ' ' ASP . 36.1 mtmt -66.28 146.03 55.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 8.3 mtt -80.23 -171.22 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.496 ' O ' HG13 ' A' ' 18' ' ' VAL . . . -156.62 112.41 0.52 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.498 ' H ' HG22 ' A' ' 59' ' ' ILE . 9.9 tpt -84.32 109.35 17.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 111.2 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -135.71 126.04 26.56 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.271 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -83.65 172.89 11.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.683 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HE3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -85.35 -7.15 59.11 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -80.62 -4.45 54.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.7 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.48 27.29 39.8 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -139.12 122.16 16.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.413 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 m -55.6 142.91 31.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.6 mtp -117.15 112.78 21.33 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -67.34 88.57 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.148 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 42.7 ttm -91.49 125.54 57.49 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.38 136.02 25.61 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.672 1.581 . . . . 0.0 112.002 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.22 127.37 10.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.807 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.34 -21.12 10.14 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -71.31 91.68 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.368 0.604 . . . . 0.0 109.51 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.0 125.03 12.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.17 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.4 mtm -107.24 153.94 21.96 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -136.51 131.23 33.66 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.909 0.385 . . . . 0.0 111.384 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.403 HG23 ' CD1' ' A' ' 52' ' ' ILE . 2.4 p -86.0 172.42 10.67 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.625 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -66.01 -38.23 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.225 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -65.8 -10.62 39.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.064 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.9 46.25 6.03 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.2 m -109.94 136.97 48.38 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HZ1' HD11 ' A' ' 53' ' ' ILE . 46.9 tttm -90.67 129.18 36.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.403 ' CD1' HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -137.71 123.03 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.71 179.287 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.496 ' O ' ' SD ' ' A' ' 26' ' ' MET . 13.8 mt -90.78 135.74 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.989 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 tpt -64.65 79.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.161 0.505 . . . . 0.0 110.36 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ILE . 89.8 mttt -73.57 -50.61 20.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.726 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.432 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -82.21 81.53 1.68 Allowed Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.115 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -78.59 -4.0 46.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -87.3 51.18 2.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.498 HG22 ' H ' ' A' ' 28' ' ' MET . 19.3 pt -45.98 -24.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.734 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -50.0 -28.7 7.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -53.0 -50.27 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.7 tp . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.901 0.381 . . . . 0.0 110.154 179.753 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 t -149.28 148.1 29.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.565 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.519 ' O ' ' N ' ' A' ' 12' ' ' LEU . 41.4 m-85 -137.63 96.08 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.944 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.98 87.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.883 0.373 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.1 tp -67.66 152.54 45.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.36 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -6.65 57.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.351 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -92.02 9.72 32.05 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.367 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.8 -16.49 31.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -83.55 -172.69 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.296 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -155.96 129.51 8.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.575 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -92.65 140.64 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.227 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CZ ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -133.91 120.48 20.42 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.25 156.44 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.147 0.498 . . . . 0.0 111.499 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 86.5 m-85 -100.43 -163.69 1.05 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.554 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -77.37 -17.75 57.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.335 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -78.49 -4.21 47.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 -4.45 78.0 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -80.8 145.81 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 17.5 mtt -77.99 -175.19 3.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.108 0.48 . . . . 0.0 110.806 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.57 112.28 0.51 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.492 ' H ' HG22 ' A' ' 59' ' ' ILE . 11.5 tpt -77.69 140.76 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.039 0.447 . . . . 0.0 111.311 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -156.81 116.02 3.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.128 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.578 HD22 ' HB3' ' A' ' 32' ' ' PHE . 31.5 p-10 -71.19 158.77 35.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.933 0.397 . . . . 0.0 110.854 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 pptp? -47.31 -21.81 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.233 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.578 ' HB3' HD22 ' A' ' 30' ' ' ASN . 13.6 t80 -80.31 11.13 3.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.76 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.35 2.74 15.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -88.44 143.18 27.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.552 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -81.01 119.93 24.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -106.52 137.01 45.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.06 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -79.24 93.19 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.008 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.1 ttm -91.67 114.48 62.03 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -48.31 140.46 20.41 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.665 1.577 . . . . 0.0 111.93 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.67 126.19 26.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.957 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . 110.31 -16.01 29.88 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -66.86 72.15 0.09 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.588 0.709 . . . . 0.0 109.316 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' GLY . 20.0 t -35.83 129.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.557 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.424 ' HB3' HD11 ' A' ' 12' ' ' LEU . 27.4 mtm -113.34 147.04 38.45 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -129.22 122.84 30.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.915 0.388 . . . . 0.0 111.078 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 p -81.52 167.32 19.45 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -53.76 -38.41 64.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.504 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -71.54 0.79 7.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.282 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.6 37.66 61.85 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.5 m -88.94 118.11 28.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.725 0.298 . . . . 0.0 110.401 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -76.5 108.69 9.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 pt -128.32 122.81 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.559 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 55' ' ' LYS . 59.7 mt -91.6 135.84 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.319 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.98 80.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 53' ' ' ILE . 34.0 ttmt -73.23 -63.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.648 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 58' ' ' GLU . . . -68.41 60.33 0.44 Allowed Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.619 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.4 -4.28 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.779 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 60' ' ' PHE . 54.9 mt-10 -85.84 55.09 3.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.329 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.492 HG22 ' H ' ' A' ' 28' ' ' MET . 11.5 pt -47.6 -12.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' GLU . 42.2 t80 -48.71 -28.92 3.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.741 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -59.46 -50.25 74.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.531 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.4 tt . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.963 0.411 . . . . 0.0 110.049 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HZ3' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.61 0.243 . . . . 0.0 110.441 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p -149.84 147.87 28.49 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.273 0.559 . . . . 0.0 110.908 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CD1' ' O ' ' A' ' 9' ' ' THR . 26.9 m-85 -143.67 97.62 3.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.574 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 47' ' ' ARG . 11.9 m-20 -49.9 96.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.404 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.417 HD13 ' CG2' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -70.4 144.1 51.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.995 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -65.89 -10.31 37.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.23 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -90.36 12.62 17.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.464 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.89 -18.25 7.91 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.5 p -76.27 -178.01 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 110.535 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 29' ' ' GLU . 36.0 mtpt -149.95 125.3 10.16 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.236 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.417 ' CG2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -84.78 154.31 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -142.8 117.35 9.74 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.46 HG22 ' HZ3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -96.06 143.11 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 -178.52 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -81.47 -169.01 2.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.741 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -77.24 -19.79 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.477 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.54 1.19 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.392 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.56 -16.27 36.46 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -64.24 145.34 56.16 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.477 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 1.9 mtm -79.9 -176.94 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.655 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.83 118.06 0.81 Allowed Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 tpt -83.08 85.92 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 111.301 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 17' ' ' LYS . 47.5 tt0 -108.75 104.43 13.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.207 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 30' ' ' ASN . 49.8 p30 -72.0 155.02 40.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.354 . . . . 0.0 110.66 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.29 -5.17 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.955 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -80.45 -4.68 54.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.69 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.57 24.67 60.17 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -139.1 122.11 16.74 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.383 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.5 p -61.04 121.88 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.687 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.2 mtt -94.67 114.66 26.62 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.096 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -62.07 97.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.442 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 41.8 ttm -107.4 125.65 31.87 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.8 162.16 42.84 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.68 1.587 . . . . 0.0 112.053 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -73.6 111.0 8.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.959 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.88 -16.85 3.69 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -74.4 72.0 1.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.261 0.553 . . . . 0.0 109.516 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.444 ' H ' HG23 ' A' ' 43' ' ' VAL . 7.0 t -37.92 123.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.131 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 32.9 mtm -105.47 137.32 43.49 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -106.71 122.48 46.45 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.43 ' OG1' ' OD1' ' A' ' 48' ' ' ASP . 17.6 p -73.45 178.5 4.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.697 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' ASP . 73.6 ttt180 -73.73 -37.95 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.378 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.43 ' OD1' ' OG1' ' A' ' 46' ' ' THR . 7.8 p30 -72.25 -10.16 59.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.93 40.82 5.78 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.1 m -103.03 145.44 29.89 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -94.26 121.4 35.73 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.007 0.432 . . . . 0.0 110.942 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -137.71 117.65 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.707 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.709 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.4 mp -82.24 145.34 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.428 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.8 tpt -68.06 76.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -67.09 -69.27 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.159 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.477 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -67.14 61.31 0.23 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.878 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -60.64 -9.89 4.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.135 0.493 . . . . 0.0 109.709 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.11 73.08 8.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.462 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.1 pt -70.58 -12.3 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -49.92 -29.67 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.498 ' N ' ' CD ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -62.65 -48.15 80.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.09 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.453 ' HB3' ' H ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.851 0.357 . . . . 0.0 110.393 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.9 m -152.75 110.86 3.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -109.29 99.0 8.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.191 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.14 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -73.08 163.45 28.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.43 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -79.1 -17.63 54.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.53 11.73 3.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.07 -11.55 42.04 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.0 p -87.49 178.88 6.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.752 0.31 . . . . 0.0 110.281 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -146.37 127.59 14.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.469 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.504 HG23 HD13 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -81.45 143.08 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.775 179.773 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -138.32 117.31 12.49 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.362 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.453 ' H ' ' HB3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -90.02 156.53 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 121.032 0.444 . . . . 0.0 111.522 -178.819 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -97.16 -166.33 1.38 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.407 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -73.92 -22.8 59.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.683 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -77.62 -4.63 46.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.46 -13.26 62.61 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -68.51 145.24 54.21 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.996 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.471 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 19.3 mtt -81.77 -173.02 4.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 110.961 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.409 ' H ' HG12 ' A' ' 18' ' ' VAL . . . 179.83 130.27 1.45 Allowed Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 93.8 mmm -73.37 155.44 39.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.256 0.55 . . . . 0.0 111.521 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 30' ' ' ASN . 0.4 OUTLIER -157.04 103.76 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.22 178.707 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.633 HD22 ' HB2' ' A' ' 32' ' ' PHE . 23.3 p-10 -73.88 -177.32 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.266 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -68.22 -25.0 64.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.526 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.633 ' HB2' HD22 ' A' ' 30' ' ' ASN . 34.9 m-85 -80.13 15.73 1.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.27 2.66 15.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -96.42 158.87 15.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.815 0.34 . . . . 0.0 110.32 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 m -82.84 167.58 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.735 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.7 mmt -144.52 112.74 6.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.473 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -52.23 136.43 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.26 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.1 ttm -145.84 114.43 4.68 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.085 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.05 139.75 33.54 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.651 1.567 . . . . 0.0 112.056 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.83 126.81 28.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.985 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.51 -11.57 35.99 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -72.55 71.39 0.96 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.393 0.616 . . . . 0.0 109.473 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 43' ' ' VAL . 21.9 t -31.69 131.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.492 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 24.3 mtm -114.12 149.85 34.98 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -127.48 122.48 33.53 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.775 0.322 . . . . 0.0 110.908 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.0 p -79.53 168.1 19.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -55.0 -38.26 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.548 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.72 -1.0 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.172 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 31.23 50.45 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.2 m -84.39 116.39 23.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 110.228 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -77.48 108.6 10.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.47 129.14 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.471 ' O ' ' SD ' ' A' ' 26' ' ' MET . 65.4 mt -89.51 142.36 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.431 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.3 tpt -72.08 87.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.741 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -62.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.814 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.449 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -74.29 80.13 0.88 Allowed Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.423 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -74.56 -8.91 57.85 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.98 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 58' ' ' GLU . 3.8 mp0 -82.58 70.04 9.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.178 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.0 pt -69.84 -12.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.03 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -49.04 -29.03 4.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.066 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -58.79 -50.4 74.09 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.047 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.4 tt . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.896 0.379 . . . . 0.0 109.994 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.779 0.323 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -154.24 110.99 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.766 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -106.51 120.63 42.42 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.822 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.07 91.72 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.798 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.78 153.51 36.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.052 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -75.76 -14.33 60.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.606 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -81.41 12.29 3.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.45 -15.91 27.17 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.564 -1.015 . . . . 0.0 110.564 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 17' ' ' LYS . 26.6 t -87.87 -170.23 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.522 ' N ' ' OG ' ' A' ' 16' ' ' SER . 15.7 ptpt -163.09 146.83 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.771 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -98.88 155.64 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -142.34 118.04 10.44 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.244 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.62 156.65 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 111.312 -178.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -97.54 -162.48 0.96 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.152 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -77.35 -23.0 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.697 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -81.61 7.27 12.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.85 -13.11 14.39 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -64.91 145.54 56.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.49 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 9.9 mtt -80.03 179.48 7.58 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.145 0.498 . . . . 0.0 111.043 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.454 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -156.61 111.93 0.5 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.443 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.8 tpt -79.79 133.2 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' O ' ' OG ' ' A' ' 16' ' ' SER . 11.1 pt-20 -155.26 128.6 8.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.131 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.771 HD22 ' HB2' ' A' ' 32' ' ' PHE . 8.5 p-10 -73.1 -163.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -81.3 -31.38 33.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.771 ' HB2' HD22 ' A' ' 30' ' ' ASN . 84.3 m-85 -80.32 14.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.827 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.04 2.93 27.15 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -81.37 122.19 27.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.739 0.304 . . . . 0.0 110.321 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.5 p -62.1 130.1 43.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.734 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.9 mtt -116.75 112.9 21.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.847 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -61.68 109.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.018 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 30.1 ttm -108.69 124.23 34.93 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.78 144.97 2.09 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 121.523 1.482 . . . . 0.0 112.061 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -74.24 77.82 1.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.233 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.73 -19.07 0.11 Allowed Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.406 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -56.02 129.53 40.22 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.75 116.55 28.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.2 mtm -101.46 139.12 37.56 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -121.07 122.64 40.5 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.721 0.296 . . . . 0.0 110.851 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.1 p -79.63 162.66 25.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -53.69 -38.37 64.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.455 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.7 -5.07 22.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.252 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 30.92 35.07 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -89.74 116.44 27.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.831 0.348 . . . . 0.0 110.245 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -76.3 116.95 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 pt -136.04 118.43 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.672 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.49 ' O ' ' SD ' ' A' ' 26' ' ' MET . 63.7 mt -86.49 145.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.825 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.9 tpt -65.85 83.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.433 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -72.27 -69.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.208 0.528 . . . . 0.0 110.215 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.468 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -69.34 66.18 0.55 Allowed Glycine 0 CA--C 1.525 0.663 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.806 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -61.87 -6.3 2.65 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.851 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.523 ' OE1' ' NH2' ' A' ' 61' ' ' ARG . 31.4 mt-10 -80.03 74.93 6.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.138 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.443 HG22 ' H ' ' A' ' 28' ' ' MET . 25.0 pt -71.62 -12.34 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.823 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -51.84 -29.13 18.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.622 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.523 ' NH2' ' OE1' ' A' ' 58' ' ' GLU . 11.5 mpt_? -61.33 -50.25 73.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.427 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 tp . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.262 -179.861 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 121.004 0.431 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.4 m -154.04 110.71 3.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.295 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -108.36 109.59 20.94 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.922 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.43 93.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.973 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.49 HD13 HG23 ' A' ' 18' ' ' VAL . 1.6 mp -71.51 160.5 32.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.089 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -75.97 -18.07 59.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.451 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -81.31 13.92 2.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.35 -11.2 13.41 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 p -80.12 -176.7 5.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.828 0.346 . . . . 0.0 110.552 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -151.05 126.24 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.388 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 HD13 ' A' ' 12' ' ' LEU . 1.7 t -81.52 152.31 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.518 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -142.85 117.16 9.59 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.426 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -94.35 156.55 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 121.343 0.592 . . . . 0.0 111.924 -178.574 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 94.2 m-85 -97.8 -166.14 1.34 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.498 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -77.41 -19.97 55.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.298 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -78.46 -4.39 48.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.02 -17.8 48.82 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -64.27 145.01 56.71 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 12.8 mtt -78.25 -167.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.59 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.406 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -162.49 115.8 0.68 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.462 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.1 tpt -87.47 145.49 26.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.208 0.528 . . . . 0.0 111.602 -178.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -156.11 117.96 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.617 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.562 HD22 ' HB3' ' A' ' 32' ' ' PHE . 19.1 p-10 -61.46 155.75 21.05 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.667 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -51.94 -5.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.402 -179.36 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.562 ' HB3' HD22 ' A' ' 30' ' ' ASN . 4.0 t80 -93.5 15.34 16.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.492 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.31 2.87 16.18 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.634 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 5.2 ttpm? -95.55 164.45 12.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.384 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.0 p -75.58 144.08 42.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.706 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttt -129.54 115.28 17.21 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.827 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -68.61 98.48 0.89 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.237 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.4 ttm -106.95 115.45 60.22 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.926 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -43.89 151.63 0.43 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.919 1.746 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -76.93 83.39 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.326 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.31 -12.0 0.33 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -70.8 96.44 1.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.435 0.636 . . . . 0.0 109.598 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.456 ' H ' HG23 ' A' ' 43' ' ' VAL . 4.0 t -52.89 130.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.481 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 30.4 mtm -112.99 134.34 54.54 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -114.02 122.69 47.7 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.4 p -80.27 161.7 24.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -54.51 -38.18 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.19 -0.68 10.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.81 39.01 34.94 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -98.93 117.99 34.69 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.811 0.339 . . . . 0.0 110.236 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -76.78 119.43 20.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 pt -137.31 126.89 36.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.541 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.506 ' O ' ' SD ' ' A' ' 26' ' ' MET . 6.4 mm -89.86 145.24 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.953 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.5 tpt -69.35 79.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.691 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -68.47 -55.82 10.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.779 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -79.59 74.56 2.24 Favored Glycine 0 CA--C 1.523 0.536 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.08 -178.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -74.39 -5.45 42.45 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.323 -0.551 . . . . 0.0 109.595 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -86.74 52.12 2.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.868 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 28' ' ' MET . 12.3 pt -45.89 -23.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.849 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -49.0 -28.52 3.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.607 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -53.06 -50.35 64.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.336 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.332 -0.172 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.738 -179.73 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 120.833 0.349 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 m -154.04 110.82 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.648 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -96.34 104.77 16.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.745 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -71.03 87.39 0.75 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.082 0.468 . . . . 0.0 110.814 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.516 HD13 HG23 ' A' ' 18' ' ' VAL . 2.2 mp -55.24 147.93 15.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.803 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.429 ' NE2' ' OE2' ' A' ' 45' ' ' GLU . 67.5 mt-30 -71.7 -16.74 62.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.06 14.73 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.14 -14.25 15.98 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -68.25 -168.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.684 0.278 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -162.74 122.88 2.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.577 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.516 HG23 HD13 ' A' ' 12' ' ' LEU . 2.6 t -87.68 148.12 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 0.0 110.857 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -143.03 116.85 9.31 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.41 156.61 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 121.077 0.465 . . . . 0.0 111.483 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 64.0 m-85 -98.47 -164.96 1.19 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.538 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -77.31 -19.3 56.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -77.64 -4.44 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.72 -5.44 81.88 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -76.36 145.24 39.61 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.42 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 21.4 mtt -82.91 -169.73 2.65 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.061 0.457 . . . . 0.0 111.229 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.2 126.82 1.13 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 86.7 mmm -77.91 141.33 39.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.399 . . . . 0.0 111.506 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' CD ' ' CD2' ' A' ' 62' ' ' LEU . 15.9 mm-40 -147.69 104.09 3.57 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 34' ' ' LYS . 36.1 p-10 -76.94 175.06 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.147 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -54.58 -33.96 61.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.977 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -80.04 12.61 2.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.59 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.39 2.98 17.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 16.1 mtpp -82.16 145.37 30.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 p -79.06 135.92 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.99 114.51 28.68 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -64.35 88.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.964 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.1 ttm -104.4 123.43 40.52 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -76.16 163.05 33.39 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.794 1.663 . . . . 0.0 111.935 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -69.49 128.25 35.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 -23.55 7.92 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -70.97 101.9 2.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.282 0.563 . . . . 0.0 109.679 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -66.96 125.16 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.229 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.47 ' HB3' HD11 ' A' ' 12' ' ' LEU . 29.4 mtm -104.56 152.66 22.14 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' OE2' ' NE2' ' A' ' 13' ' ' GLN . 37.7 tt0 -134.13 123.24 24.08 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.924 0.392 . . . . 0.0 111.559 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.445 ' HG1' ' CB ' ' A' ' 50' ' ' THR . 20.0 p -65.6 178.65 0.95 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.572 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -67.2 -35.6 79.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.416 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 49' ' ' GLY . 3.1 p30 -73.71 -43.01 60.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.405 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 48' ' ' ASP . . . 129.43 39.23 0.3 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.445 ' CB ' ' HG1' ' A' ' 46' ' ' THR . 9.2 m -87.41 135.79 33.19 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -91.68 119.06 31.21 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.5 125.6 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.903 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.405 ' O ' ' SD ' ' A' ' 26' ' ' MET . 12.1 mm -89.04 145.69 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.834 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 11.3 tpt -73.7 88.86 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.201 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -80.09 -46.89 15.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.42 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -87.84 71.63 2.57 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.538 -178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -72.89 -14.72 61.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 60' ' ' PHE . 63.2 mt-10 -78.4 54.45 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.223 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.7 pt -46.03 -19.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.411 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.425 ' N ' ' C ' ' A' ' 58' ' ' GLU . 61.7 t80 -49.17 -28.51 4.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.461 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -52.64 -50.2 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.798 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.423 ' CD2' ' CD ' ' A' ' 29' ' ' GLU . 21.6 tp . . . . . 0 C--N 1.332 -0.195 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.103 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.712 0.292 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.5 m -154.35 110.65 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -103.71 115.52 30.64 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.68 98.58 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.374 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.467 HD13 HG23 ' A' ' 18' ' ' VAL . 1.4 mp -69.09 163.38 24.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.921 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.94 -18.65 53.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -83.48 16.75 2.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.566 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.49 -15.33 7.51 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.2 p -74.36 174.8 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.445 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -146.48 123.58 11.46 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.467 HG23 HD13 ' A' ' 12' ' ' LEU . 1.3 t -79.86 156.12 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.12 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -143.37 117.24 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.23 153.48 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.093 0.473 . . . . 0.0 110.886 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -96.21 -165.96 1.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.339 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HZ2' ' HB3' ' A' ' 22' ' ' LYS . 1.1 ptpp? -76.96 -18.02 58.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.421 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.33 1.8 35.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.84 -16.55 26.15 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -64.11 146.0 54.96 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.3 mtt -79.35 -172.77 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.301 0.572 . . . . 0.0 111.219 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -158.94 113.52 0.57 Allowed Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 tpt -85.51 84.38 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 111.261 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -104.75 104.61 14.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.171 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.578 ' ND2' ' O ' ' A' ' 34' ' ' LYS . 16.5 p30 -64.24 160.93 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.727 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -10.05 56.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.883 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -80.09 11.45 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.755 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.32 32.63 82.56 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.578 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 65.7 mttm -139.14 161.54 37.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -90.38 119.06 30.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.623 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.448 ' SD ' ' C ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -95.9 112.66 24.33 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.189 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -65.17 105.23 1.04 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.777 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.9 ttm -108.7 122.93 38.65 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.916 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.36 144.92 4.17 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.538 1.492 . . . . 0.0 111.799 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -74.06 80.7 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.19 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.37 -15.66 0.16 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.559 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -58.3 129.89 44.12 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 t -83.01 113.5 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.658 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.0 mtm -98.04 135.09 40.23 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -118.63 122.52 42.75 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 110.995 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.2 p -75.88 176.8 7.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -67.76 -38.32 83.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -71.51 -6.32 39.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.201 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.75 32.52 15.01 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.5 m -90.24 116.3 28.11 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.854 0.359 . . . . 0.0 110.199 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -78.73 108.71 12.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.71 124.19 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.006 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.5 ' O ' ' SD ' ' A' ' 26' ' ' MET . 11.8 mm -87.91 145.89 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.01 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.8 tpt -71.84 84.29 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.559 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -75.44 -53.96 7.82 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.418 0.628 . . . . 0.0 110.349 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.446 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -75.9 63.48 2.78 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.908 -178.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -71.0 -4.15 23.28 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.808 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 60' ' ' PHE . 55.6 mt-10 -85.8 48.0 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.384 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 pt -46.01 -15.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.766 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' GLU . 54.5 t80 -49.22 -29.12 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -60.82 -50.01 75.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.2 tt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.196 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptt . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 m -146.76 147.32 30.8 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.897 0.38 . . . . 0.0 110.84 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -140.54 98.11 3.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.072 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.71 95.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.218 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.482 HD13 HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -72.94 161.1 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.068 179.696 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -78.91 -16.0 57.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.462 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -83.01 12.97 4.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.25 -12.72 30.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.1 p -84.71 -179.66 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.292 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -148.87 127.63 12.53 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.282 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.482 HG23 HD13 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -83.82 152.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.393 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.525 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -142.69 117.4 9.83 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.708 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.27 156.73 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 121.059 0.457 . . . . 0.0 110.832 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.96 -163.38 1.04 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.132 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' H ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -77.45 -25.02 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.811 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -81.1 6.56 13.33 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.93 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.38 -14.4 34.86 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 121.2 -0.524 . . . . 0.0 111.988 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -64.07 145.77 55.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.079 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.8 mtt -81.52 -179.75 7.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.828 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.01 132.26 3.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.281 -1.127 . . . . 0.0 110.281 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.498 ' H ' HG22 ' A' ' 59' ' ' ILE . 7.8 tpt -112.62 112.36 23.82 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.792 0.33 . . . . 0.0 111.148 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -145.35 110.12 5.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.988 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -58.48 173.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.885 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -8.18 59.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.905 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -80.22 5.13 15.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.459 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.26 2.91 74.96 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -105.04 122.14 45.26 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.301 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.6 p -59.86 133.94 56.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.0 mmm -108.93 112.46 24.7 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.539 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -73.33 86.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.467 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 41.6 ttm -86.84 123.05 71.12 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.91 135.35 21.16 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.745 1.63 . . . . 0.0 111.981 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -46.78 127.56 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.648 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.05 -20.46 9.8 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -70.89 74.22 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.4 0.619 . . . . 0.0 109.644 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 43' ' ' VAL . 6.5 t -36.63 121.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.565 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 46.2 mtm -104.58 141.06 37.09 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -125.83 122.58 36.53 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.773 0.321 . . . . 0.0 110.886 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.6 p -79.69 162.95 24.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -53.72 -38.24 64.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.349 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -69.42 -4.76 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.87 30.48 35.26 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.2 m -86.7 116.32 24.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.704 0.287 . . . . 0.0 110.378 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -77.77 108.62 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.384 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -126.31 120.49 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.847 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.504 ' O ' ' SD ' ' A' ' 26' ' ' MET . 6.3 mm -84.06 145.53 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.833 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.44 81.19 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.084 0.469 . . . . 0.0 109.801 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -72.04 -76.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.095 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.483 ' H ' ' H ' ' A' ' 26' ' ' MET . . . -59.98 72.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.598 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' LYS . 41.4 t30 -70.79 -4.43 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 109.895 179.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -81.81 67.24 7.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.498 HG22 ' H ' ' A' ' 28' ' ' MET . 30.9 pt -61.66 -12.33 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.715 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.37 -29.17 65.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -55.72 -50.03 71.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.507 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.1 tt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 110.14 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.8 m -154.19 110.87 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.423 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -107.81 102.47 11.68 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.845 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.41 86.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.078 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.457 HD13 HG23 ' A' ' 18' ' ' VAL . 2.9 mp -57.35 162.5 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.492 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -79.04 -21.19 47.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.327 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -79.23 14.93 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.69 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.9 -15.58 10.03 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 p -71.56 177.82 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.678 0.275 . . . . 0.0 110.389 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -151.64 122.99 7.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.892 0.377 . . . . 0.0 110.502 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 HD13 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -90.44 148.71 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.32 179.748 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.497 ' NE2' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -142.52 117.4 9.93 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.205 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -83.44 156.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.534 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.79 -170.33 1.74 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.5 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -65.26 -24.86 67.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.638 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.539 ' CG ' HH22 ' A' ' 61' ' ' ARG . 1.4 m-20 -79.08 14.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.625 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.89 3.11 2.24 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 23' ' ' ASP . 87.3 mttt -82.19 145.47 30.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.494 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 10.2 mtt -78.47 178.78 7.48 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.407 0.622 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.429 ' O ' HG13 ' A' ' 18' ' ' VAL . . . -152.48 119.38 0.96 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.557 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.3 tpt -87.69 121.0 29.57 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.963 0.411 . . . . 0.0 111.162 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.475 ' OE2' ' N ' ' A' ' 30' ' ' ASN . 9.9 tp10 -144.25 130.1 19.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.745 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.475 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 37.9 p-10 -79.23 -166.41 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.014 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -80.74 -30.6 36.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.404 ' HB2' HD21 ' A' ' 30' ' ' ASN . 55.1 m-85 -80.17 17.14 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.611 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.45 2.93 17.2 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 52.5 tttp -83.65 126.45 32.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.816 0.341 . . . . 0.0 110.418 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.6 m -65.69 124.49 22.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 48.5 mmm -104.51 112.74 25.93 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.54 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -67.15 88.07 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.303 -179.304 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 46.3 ttm -91.83 125.34 57.58 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.79 135.38 19.42 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.834 1.689 . . . . 0.0 112.065 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -46.25 124.94 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.99 -20.23 7.66 Favored Glycine 0 N--CA 1.467 0.735 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -72.83 80.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.482 0.658 . . . . 0.0 109.748 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 43' ' ' VAL . 5.8 t -41.5 122.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.401 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 61.2 mtm -103.7 151.64 22.75 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -137.15 126.94 25.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.221 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.631 HG23 HD11 ' A' ' 52' ' ' ILE . 22.6 p -74.8 171.12 14.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.823 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -64.37 -30.46 71.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 49' ' ' GLY . 2.8 p30 -73.21 -44.18 60.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.284 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 48' ' ' ASP . . . 128.7 38.08 0.37 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -96.36 129.82 43.61 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -87.07 108.65 18.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.631 HD11 HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -122.6 122.63 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.629 179.056 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' SD ' ' A' ' 26' ' ' MET . 12.8 mm -87.93 144.28 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.069 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.6 tpt -68.51 78.59 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.499 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HB2' ' HZ2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -67.75 -73.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.039 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.494 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -64.19 86.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.902 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -74.89 -4.05 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.654 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 58' ' ' GLU . 25.3 mp0 -83.57 78.44 9.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.043 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.557 HG22 ' H ' ' A' ' 28' ' ' MET . 18.6 pt -71.09 -24.42 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.237 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -49.14 -28.94 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.798 0.332 . . . . 0.0 110.382 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.539 HH22 ' CG ' ' A' ' 23' ' ' ASP . 3.5 tpt180 -56.28 -29.06 60.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.546 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.497 ' CD2' ' NE2' ' A' ' 19' ' ' HIS . 16.2 mt . . . . . 0 C--N 1.332 -0.18 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.633 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.764 0.316 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.55 147.78 28.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.108 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -138.33 102.38 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.883 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -68.34 98.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.725 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.477 HD13 HG23 ' A' ' 18' ' ' VAL . 2.5 mp -70.33 166.7 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.161 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.432 ' C ' ' H ' ' A' ' 15' ' ' GLY . 33.7 mm-40 -78.82 -22.78 45.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.521 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.92 10.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.512 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . 80.83 -10.31 47.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -83.96 -169.15 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.359 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -160.49 132.68 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.441 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.477 HG23 HD13 ' A' ' 12' ' ' LEU . 1.7 t -83.67 151.99 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -143.06 117.32 9.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.18 156.34 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.008 0.433 . . . . 0.0 111.27 -179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -94.86 -166.59 1.49 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.603 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -77.43 -21.52 52.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.516 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.58 -4.63 46.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.738 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.37 -16.32 59.2 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -65.9 144.83 56.55 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.87 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.502 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 8.3 mtt -77.4 -174.29 3.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.035 0.445 . . . . 0.0 110.57 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.59 125.14 1.44 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.462 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.5 tpt -90.26 81.53 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -105.57 104.57 14.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.284 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.2 p30 -71.83 160.27 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.694 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.532 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -74.59 -1.11 20.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.736 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.11 -4.85 56.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.526 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.21 7.27 87.95 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -122.24 122.05 38.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.825 0.345 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.7 m -59.68 129.77 43.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.529 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.5 mmt -101.91 130.37 48.39 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.049 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -82.35 89.08 6.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.203 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 41.8 ttm -95.36 124.19 54.28 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.66 149.24 73.41 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.458 1.439 . . . . 0.0 111.941 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.46 103.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.943 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.81 -16.42 2.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -71.56 100.69 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.333 0.587 . . . . 0.0 109.611 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.5 t -49.28 124.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.953 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 58.0 mtm -108.78 132.61 53.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -122.85 123.72 41.63 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.955 0.407 . . . . 0.0 111.514 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.1 p -84.24 162.21 20.24 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.018 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 mtp-105 -59.53 -38.33 80.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.385 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -65.08 -6.8 9.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.088 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.39 34.2 20.68 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.0 m -97.69 116.33 29.69 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.508 ' HZ3' HD11 ' A' ' 53' ' ' ILE . 49.0 tttm -79.69 108.62 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.632 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pt -119.81 149.1 22.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.567 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.508 HD11 ' HZ3' ' A' ' 51' ' ' LYS . 26.2 mm -107.18 145.47 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.5 tpt -70.66 83.72 0.62 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -72.08 -70.63 0.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.607 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.502 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.96 84.45 0.11 Allowed Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.811 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -76.49 -4.19 41.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -83.32 75.51 9.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 28' ' ' MET . 13.6 pt -73.27 -33.35 40.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.015 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 32.2 p90 -49.22 -28.85 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.623 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 8.2 tpm_? -53.09 -40.43 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.556 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.798 0.333 . . . . 0.0 110.456 179.843 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? . . . . . 0 N--CA 1.464 0.256 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.459 HG21 ' HZ1' ' A' ' 17' ' ' LYS . 40.2 m -154.28 124.5 6.88 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.876 0.369 . . . . 0.0 111.683 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -116.41 91.18 3.51 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -55.06 96.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.835 0.35 . . . . 0.0 110.221 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.536 HD11 ' HB3' ' A' ' 44' ' ' MET . 1.1 mp -63.44 164.9 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -78.93 -14.42 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.703 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.63 19.06 14.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.47 -19.4 7.11 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.9 m -63.4 165.91 7.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.691 0.281 . . . . 0.0 110.354 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.523 ' O ' ' CE1' ' A' ' 19' ' ' HIS . 13.4 mtpp -136.46 122.9 20.75 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.495 ' CG2' HD13 ' A' ' 12' ' ' LEU . 2.2 t -87.06 152.16 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.84 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -143.26 116.92 9.22 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.506 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.44 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.9 OUTLIER -107.06 138.64 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.664 -179.48 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CD1' ' NE ' ' A' ' 61' ' ' ARG . 28.9 m-85 -88.6 171.77 9.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.273 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -55.61 -20.4 13.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.66 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 25' ' ' LYS . 3.5 m-20 -77.5 10.11 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.005 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.34 -13.14 1.13 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 23' ' ' ASP . 20.1 mmmt -64.02 145.05 56.57 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 5.5 mtt -88.77 -176.35 5.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.328 0.585 . . . . 0.0 111.129 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.405 ' O ' HG13 ' A' ' 18' ' ' VAL . . . -141.47 -172.89 13.49 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 tpt -170.48 134.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.872 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 33' ' ' GLY . 31.8 tt0 -155.25 115.5 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.547 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.434 ' C ' ' N ' ' A' ' 32' ' ' PHE . 30.9 p30 -63.44 160.27 16.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -15.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.643 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 30' ' ' ASN . 92.4 m-85 -80.28 3.9 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' OE2' ' A' ' 29' ' ' GLU . . . 69.4 2.98 37.08 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -95.49 139.52 31.65 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.508 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -63.6 110.64 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.42 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -87.17 112.69 22.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.496 -179.749 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -62.01 85.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.373 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.2 ttm -90.58 124.21 63.16 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.29 139.52 35.25 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.319 1.346 . . . . 0.0 111.73 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.37 100.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.945 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.35 -24.38 0.77 Allowed Glycine 0 CA--C 1.525 0.696 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.306 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -67.35 137.01 55.68 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.151 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.8 t -83.9 124.92 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.899 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.536 ' HB3' HD11 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -99.64 145.91 27.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.01 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -136.59 122.6 20.2 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.603 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 p -84.07 165.29 18.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.773 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 12' ' ' LEU . 63.8 mtt85 -64.52 -38.37 90.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.199 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.18 -8.01 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.186 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.99 46.28 6.74 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.7 m -111.21 123.75 50.82 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -80.12 128.31 33.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.157 0.503 . . . . 0.0 110.609 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -136.86 139.64 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.059 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.5 ' O ' ' SD ' ' A' ' 26' ' ' MET . 26.0 mm -107.04 141.54 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.401 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 6.9 tpt -63.1 89.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.602 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -80.9 -59.9 2.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.966 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -79.01 87.85 1.17 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -72.26 -13.93 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.677 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.525 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 48.7 mt-10 -82.65 64.98 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.382 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.22 -11.98 15.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.928 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -48.72 -28.89 3.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.454 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.525 ' NH1' ' O ' ' A' ' 58' ' ' GLU . 21.1 ptt-85 -63.73 -32.52 74.05 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.769 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.997 0.427 . . . . 0.0 109.895 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.2 tptt . . . . . 0 N--CA 1.465 0.283 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 4.3 t -154.72 148.24 25.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.068 0.461 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 9' ' ' THR . 14.4 m-85 -141.59 108.69 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.638 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.65 97.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.8 0.333 . . . . 0.0 110.957 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.34 154.42 41.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.943 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.496 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 14' ' ' ASP . 20.8 t70 -84.44 12.94 6.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.535 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.07 -23.51 5.97 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 m -81.67 -168.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -162.95 146.62 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.6 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.543 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -103.29 127.65 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.071 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER -117.66 117.28 28.94 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.752 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.45 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -92.73 151.43 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.241 0.543 . . . . 0.0 112.046 -177.39 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -92.63 -165.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -77.39 -16.33 58.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.383 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -78.46 -4.46 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.39 -8.94 65.91 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -75.82 145.76 40.41 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.52 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 36.3 mtt -86.2 -167.97 2.06 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.543 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -178.46 111.92 0.35 Allowed Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 84.4 mmm -58.92 155.69 12.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.031 0.443 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -157.19 103.67 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.835 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 34' ' ' LYS . 34.6 p30 -84.09 153.0 24.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.773 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -62.68 -4.5 2.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.754 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -80.51 13.73 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.655 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.8 12.51 64.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' O ' ' OD1' ' A' ' 30' ' ' ASN . 68.8 mmtt -131.85 175.04 9.54 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.831 0.348 . . . . 0.0 110.272 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.479 ' OG ' ' N ' ' A' ' 36' ' ' MET . 11.3 t -91.05 177.47 6.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.479 ' N ' ' OG ' ' A' ' 35' ' ' SER . 6.5 mmt -142.14 122.68 14.13 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -64.77 123.76 20.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.593 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.9 ttm -136.88 121.69 12.68 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.462 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.31 136.77 16.24 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.659 1.573 . . . . 0.0 111.79 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.2 127.57 10.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.21 -24.56 6.94 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -69.92 99.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.327 0.584 . . . . 0.0 109.777 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 t -61.99 124.9 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.0 mtm -106.94 137.1 45.64 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -107.48 122.34 46.44 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.735 0.302 . . . . 0.0 110.945 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.2 p -79.11 165.29 23.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.46 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -54.34 -35.22 62.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.498 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -79.34 -4.07 49.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.429 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.23 31.9 36.84 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.5 m -85.38 132.2 34.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.771 0.319 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -83.44 117.26 22.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.94 0.4 . . . . 0.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -134.04 125.07 47.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.462 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.52 ' O ' ' SD ' ' A' ' 26' ' ' MET . 7.4 mm -91.19 138.32 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.749 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 10.6 tpt -65.98 105.72 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.065 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -96.58 -44.26 7.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.444 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -90.89 75.47 1.61 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.265 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -70.26 -14.91 62.81 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.616 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 60' ' ' PHE . 50.4 mt-10 -80.05 55.77 2.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.155 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 pt -46.39 -12.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.014 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 58' ' ' GLU . 95.6 m-85 -48.98 -29.04 4.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.65 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -57.75 -50.14 74.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.751 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.401 . . . . 0.0 110.416 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.741 0.305 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m -154.14 110.82 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.491 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -103.94 110.27 22.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.031 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.16 96.36 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 0.0 111.015 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.486 HD13 HG23 ' A' ' 18' ' ' VAL . 1.3 mp -73.13 161.8 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.038 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -78.96 -17.41 55.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.588 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -81.81 14.06 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.433 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.29 -9.79 25.16 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 p -80.61 -176.83 5.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.773 0.32 . . . . 0.0 110.45 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -152.24 123.26 7.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.212 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.486 HG23 HD13 ' A' ' 12' ' ' LEU . 1.8 t -78.22 153.52 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.669 -0.412 . . . . 0.0 109.934 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -143.04 116.96 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -91.5 156.83 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.976 0.417 . . . . 0.0 110.726 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -102.69 -165.53 1.19 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.341 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -71.73 -26.06 62.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.634 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 25' ' ' LYS . 4.0 m-20 -79.29 11.07 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.54 -11.54 2.27 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 23' ' ' ASP . 34.8 mtmt -64.23 145.59 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 8.1 mtt -80.38 176.46 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.437 0.637 . . . . 0.0 111.107 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.66 124.02 1.65 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.46 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.6 tpt -91.75 78.87 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 111.266 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -99.45 104.56 16.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.26 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -67.78 160.75 27.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.872 0.368 . . . . 0.0 110.715 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -2.44 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -80.31 13.53 2.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.48 25.19 72.62 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -139.06 169.23 18.16 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.813 0.339 . . . . 0.0 110.391 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.5 ' OG ' HD12 ' A' ' 59' ' ' ILE . 19.7 t -98.6 124.01 43.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -97.24 112.59 24.33 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.539 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -69.46 87.9 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.514 -179.269 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 39.1 ttm -91.13 125.03 59.94 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.57 134.52 22.45 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.564 1.509 . . . . 0.0 112.018 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.35 131.63 10.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.673 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.02 -21.52 15.58 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -70.34 87.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' H ' HG23 ' A' ' 43' ' ' VAL . 4.8 t -51.26 126.84 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.536 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.5 mtm -109.92 139.7 44.72 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 46' ' ' THR . 8.1 tp10 -123.37 122.71 38.99 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.523 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 27.4 p -80.7 156.2 26.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -58.35 -27.11 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.544 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.37 -4.49 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 109.974 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.27 16.83 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.474 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 21.3 m -111.04 116.2 30.76 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.83 115.1 20.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.459 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pt -126.95 126.21 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.79 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.488 ' O ' ' SD ' ' A' ' 26' ' ' MET . 65.7 mt -88.44 145.41 7.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 tpt -70.76 82.06 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.155 0.503 . . . . 0.0 109.672 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -72.61 -65.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.663 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.48 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -71.17 70.81 0.79 Allowed Glycine 0 CA--C 1.526 0.753 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.823 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -69.27 -4.56 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.479 -0.488 . . . . 0.0 109.881 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -82.17 61.44 5.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.133 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.5 HD12 ' OG ' ' A' ' 35' ' ' SER . 28.6 pt -54.9 -18.97 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.855 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -49.08 -28.71 4.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -52.75 -31.64 39.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--N 1.33 -0.246 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.208 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.5 ' NZ ' ' OH ' ' A' ' 10' ' ' TYR . 17.0 tptp . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -154.11 145.19 22.77 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.913 0.387 . . . . 0.0 111.35 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.5 ' OH ' ' NZ ' ' A' ' 8' ' ' LYS . 46.4 m-85 -141.81 98.31 3.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.741 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.405 ' HB3' ' HE ' ' A' ' 47' ' ' ARG . 1.3 m-20 -59.38 97.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.499 HD13 HG23 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -74.44 158.91 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.871 179.669 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -78.91 -13.96 59.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.433 ' OD2' HD23 ' A' ' 12' ' ' LEU . 8.0 p30 -84.0 11.36 7.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.58 -13.38 52.49 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 t -87.21 179.93 6.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.349 . . . . 0.0 110.547 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -147.51 128.58 14.59 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.932 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.499 HG23 HD13 ' A' ' 12' ' ' LEU . 1.3 t -81.45 157.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.97 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -142.45 116.89 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.444 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -106.18 142.42 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.094 0.473 . . . . 0.0 111.264 -178.486 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -84.45 -172.98 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.957 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -72.77 -18.66 61.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.392 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -77.64 -0.56 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.162 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.11 -15.99 35.7 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -64.32 145.34 56.19 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.2 mtt -85.66 -177.29 6.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.048 0.452 . . . . 0.0 110.923 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.53 120.7 1.0 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.1 tpt -93.27 88.01 5.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 110.965 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -106.45 110.36 22.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.832 0.349 . . . . 0.0 110.324 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.825 HD21 ' HG2' ' A' ' 36' ' ' MET . 23.7 p30 -71.78 143.05 49.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.518 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -63.13 -2.71 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.283 -179.568 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -80.64 16.26 1.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.602 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.17 20.12 76.28 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.474 ' C ' ' ND2' ' A' ' 30' ' ' ASN . 67.4 mttm -139.12 -178.92 5.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.437 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -106.97 169.77 8.35 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.609 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.825 ' HG2' HD21 ' A' ' 30' ' ' ASN . 16.2 mmt -142.97 112.75 6.96 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.964 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -65.9 89.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.3 ttm -92.59 116.07 65.87 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.778 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.04 153.06 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.887 1.725 . . . . 0.0 112.196 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -78.48 84.71 4.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.17 -14.02 0.55 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -66.46 80.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.367 0.603 . . . . 0.0 109.606 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.424 HG23 ' H ' ' A' ' 43' ' ' VAL . 17.2 t -39.05 128.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.91 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.1 mtm -111.69 136.62 50.68 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -116.32 122.6 45.37 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.738 0.304 . . . . 0.0 110.961 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.7 p -79.8 160.27 26.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.643 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HE ' ' HB3' ' A' ' 11' ' ' ASP . 13.4 ptp180 -55.01 -31.88 61.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.557 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.3 -4.81 44.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.206 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.19 29.54 37.03 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.7 m -86.79 116.34 24.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -76.65 108.61 9.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -128.7 121.11 54.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.676 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 55' ' ' LYS . 62.5 mt -90.17 138.15 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.233 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.1 tpt -60.29 78.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.791 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 53' ' ' ILE . 11.7 ttmm -71.24 -66.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.568 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -70.19 58.09 0.83 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.393 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -56.12 -10.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.277 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 56' ' ' GLY . 57.2 mt-10 -78.47 76.89 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.499 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.0 pt -73.02 -12.38 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.78 -29.14 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.482 ' CD ' ' N ' ' A' ' 61' ' ' ARG . 9.5 mpt_? -59.0 -50.05 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.427 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.183 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 3' ' ' MET . 5.5 t . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 50.17 10.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.473 ' H ' ' C ' ' A' ' 1' ' ' VAL . 14.5 tpt -63.42 -36.6 84.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.6 m -58.22 -36.17 72.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -63.71 -46.14 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.529 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.56 135.2 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -166.06 139.34 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -158.82 131.62 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.352 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 m -154.21 110.98 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -102.94 109.81 21.5 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.942 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -61.26 96.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 111.072 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -69.68 159.7 32.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.941 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -76.63 -18.01 58.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.429 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -82.44 15.26 2.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.05 -21.48 5.74 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -79.38 -172.32 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.489 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -162.91 123.72 2.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.43 HG23 ' H ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -73.75 156.19 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -140.97 117.15 10.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.88 156.38 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.171 0.51 . . . . 0.0 111.349 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -100.12 -162.96 0.99 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.152 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -73.22 -30.22 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.71 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.485 ' C ' ' H ' ' A' ' 25' ' ' LYS . 40.9 t0 -77.65 15.67 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.089 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.59 -10.99 1.28 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 23' ' ' ASP . 35.5 mmtm -63.95 145.57 55.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 10.7 mtt -81.21 177.4 9.04 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 111.152 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.1 110.23 0.44 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.0 tpt -79.71 87.45 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.426 . . . . 0.0 111.112 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -108.47 112.82 25.42 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.138 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.828 HD21 ' HG2' ' A' ' 36' ' ' MET . 23.8 p30 -71.88 148.11 46.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.886 0.374 . . . . 0.0 110.661 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.478 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -66.11 -4.99 8.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.208 -179.521 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -80.46 18.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.701 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.56 24.47 72.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HB2' HD22 ' A' ' 30' ' ' ASN . 93.8 mttt -139.14 176.75 8.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 110.285 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 m -107.58 156.96 18.46 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.64 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.828 ' HG2' HD21 ' A' ' 30' ' ' ASN . 64.6 mmm -135.67 112.77 10.41 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.733 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -67.69 92.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.1 ttm -90.8 127.9 50.33 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.55 129.96 18.75 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.436 1.424 . . . . 0.0 112.102 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 4.1 tm-20 -43.77 137.27 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.917 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.466 ' N ' ' OE2' ' A' ' 40' ' ' GLU . . . 99.68 -14.8 60.3 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.781 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -69.14 81.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.541 0.686 . . . . 0.0 109.551 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 43' ' ' VAL . 14.6 t -40.96 123.59 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.683 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.7 mtm -107.05 137.96 44.14 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -118.84 122.69 42.95 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.818 0.342 . . . . 0.0 111.054 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -75.61 169.57 17.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.604 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -61.87 -37.32 84.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.291 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -72.53 -6.32 43.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.395 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.07 31.72 22.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 m -88.43 116.4 26.63 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.857 0.36 . . . . 0.0 110.145 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -75.34 114.53 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 pt -134.27 117.9 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.561 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.495 ' O ' ' SD ' ' A' ' 26' ' ' MET . 67.8 mt -86.32 142.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.01 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 tpt -65.58 82.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.668 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.469 ' HZ2' ' HA ' ' A' ' 25' ' ' LYS . 25.2 ttpp -68.28 -67.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.195 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.449 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -74.61 77.59 1.07 Allowed Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.816 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -70.89 -8.4 52.57 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.8 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -77.91 76.71 4.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.235 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.9 pt -70.93 -12.24 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.723 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -51.0 -28.99 11.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -52.94 -47.92 67.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.699 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 tp -50.67 -51.04 53.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.091 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -62.23 92.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 53.44 -171.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.585 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.71 164.3 10.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.608 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -84.98 -2.04 57.48 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.226 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 57.26 75.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -64.33 177.32 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 70' ' ' HIS . . . -67.24 0.11 9.16 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 69' ' ' GLY . 32.5 p80 42.25 30.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.2 m -167.33 -84.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -66.16 151.18 47.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.04 47.04 93.23 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.963 -1.465 . . . . 0.0 110.857 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -155.07 -72.98 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.4 mtt -61.79 -51.7 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 6' ' ' VAL . 50.0 m -70.72 -52.06 23.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.575 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 54.64 7.38 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 4' ' ' SER . 12.1 p -68.9 137.48 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -172.73 146.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -98.93 146.37 26.07 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 m -154.19 110.93 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.766 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -103.4 115.38 30.43 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.929 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.01 93.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.499 HD13 HG23 ' A' ' 18' ' ' VAL . 1.6 mp -69.51 160.39 31.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.221 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -78.9 -17.2 55.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.516 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.5 15.35 2.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.79 -12.12 12.15 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 m -77.82 -178.27 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.499 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -152.01 123.53 7.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.099 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.499 HG23 HD13 ' A' ' 12' ' ' LEU . 1.9 t -78.7 152.88 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.993 0.425 . . . . 0.0 110.03 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -142.94 117.08 9.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 26' ' ' MET . 1.0 OUTLIER -96.27 147.43 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 120.994 0.426 . . . . 0.0 111.067 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -86.93 -166.43 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.613 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -77.4 -20.95 53.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -77.61 -0.02 24.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.461 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.94 -15.79 41.16 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -64.25 144.53 57.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.465 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 6.4 mtt -78.07 -173.7 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.055 0.455 . . . . 0.0 110.337 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.33 122.07 1.08 Allowed Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 tpt -87.76 80.69 7.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 0.0 110.97 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -106.88 111.56 24.12 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.374 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 32' ' ' PHE . 14.4 p30 -71.52 163.24 28.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.706 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.584 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -85.3 1.46 48.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.704 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.499 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 9.7 t80 -80.44 8.34 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.677 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.52 14.48 78.18 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 9.8 mtpm? -138.89 -179.76 6.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.736 0.303 . . . . 0.0 110.2 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.5 m -106.34 170.79 7.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.003 0.43 . . . . 0.0 110.804 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.428 ' HG2' HD22 ' A' ' 30' ' ' ASN . 13.9 mmt -142.21 113.54 7.7 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.674 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -68.56 94.92 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.37 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 44.3 ttm -102.99 125.35 35.57 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.34 158.33 54.63 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.54 1.493 . . . . 0.0 111.966 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -70.28 107.98 3.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.92 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.75 -19.09 2.76 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -72.4 76.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.3 t -41.48 124.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.103 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 30.9 mtm -106.34 137.95 43.4 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -116.4 122.73 45.69 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.832 0.348 . . . . 0.0 110.843 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.2 p -80.73 160.35 24.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.725 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 12' ' ' LEU . 68.5 mtt85 -54.01 -38.2 64.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.458 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -68.96 -5.83 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.347 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.8 32.39 30.03 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.7 m -93.24 116.44 29.01 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.697 0.284 . . . . 0.0 110.411 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -76.71 116.69 17.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.502 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 pt -132.85 124.62 50.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.629 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.8 mt -86.84 145.39 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.759 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 tpt -69.22 82.34 0.35 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -72.73 -70.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.107 0.479 . . . . 0.0 110.503 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.47 77.35 0.13 Allowed Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.435 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -74.78 -4.27 36.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.414 . . . . 0.0 110.19 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -83.84 70.92 10.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.9 pt -67.32 -22.4 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.62 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -53.62 -29.09 36.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -53.87 -41.17 67.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 64' ' ' GLU . 9.9 tp -50.59 -51.0 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.525 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 55.12 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 62' ' ' LEU . 33.2 mt-10 -152.23 -6.13 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.94 14.34 0.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.628 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.493 HD23 ' C ' ' A' ' 66' ' ' LEU . 2.1 tt -68.82 -66.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -77.62 -49.94 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.625 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -52.98 -28.04 21.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.591 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.5 -50.46 64.9 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -177.18 -178.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.338 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 m 56.15 170.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLY . 29.0 tp10 55.64 77.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.467 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.06 80.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.006 -1.441 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -155.08 -59.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 74.6 mtp -62.55 -37.15 85.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.611 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 m -57.03 -39.24 74.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.547 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -168.15 94.62 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.7 m -62.27 140.05 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 8' ' ' LYS . 33.4 m -71.85 -39.29 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.737 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' N ' HG23 ' A' ' 7' ' ' VAL . 5.6 tppt? -163.08 133.49 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.581 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.5 m -154.29 111.02 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.813 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -102.35 119.51 38.94 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -70.67 97.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.003 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.51 153.0 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.17 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -79.02 -9.25 59.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.198 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -83.86 7.61 17.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.298 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.36 -19.56 39.04 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.5 m -90.8 -166.76 1.65 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.761 0.315 . . . . 0.0 110.536 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -162.82 137.06 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.266 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -86.65 157.67 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.76 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -142.31 117.21 9.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.79 152.05 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.906 0.384 . . . . 0.0 110.96 -178.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -92.34 -167.03 1.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.207 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.32 -14.67 59.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.555 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.48 0.45 52.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.759 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.13 -17.74 35.84 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -64.21 145.87 55.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.9 mtt -80.08 -178.54 6.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.418 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -158.78 109.54 0.41 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.405 ' H ' HG22 ' A' ' 59' ' ' ILE . 11.4 tpt -81.68 89.19 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 111.212 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -103.85 104.49 14.49 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.196 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' A' ' 32' ' ' PHE . 17.3 p30 -70.8 138.53 50.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.646 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -55.89 -2.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 30' ' ' ASN . 7.9 t80 -80.31 4.65 17.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.824 0.345 . . . . 0.0 110.551 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.3 25.34 68.66 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 51.5 mtpt -139.21 166.21 25.13 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.489 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 m -93.54 121.56 35.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.467 ' SD ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -93.38 124.72 37.56 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.215 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' N ' ' SD ' ' A' ' 36' ' ' MET . 36.5 t-20 -78.37 88.48 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.541 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.0 ttm -93.02 114.48 62.8 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.197 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -47.3 147.22 6.03 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.709 1.606 . . . . 0.0 111.662 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 6.5 pt-20 -70.32 114.85 8.86 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.935 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . 124.29 -17.7 7.44 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -64.75 77.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.536 0.684 . . . . 0.0 109.516 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' GLY . 12.9 t -39.69 129.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.866 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.8 mtm -111.58 139.06 47.33 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -111.23 122.77 48.74 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.944 0.402 . . . . 0.0 111.297 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.7 p -80.2 173.97 12.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.57 -38.25 83.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.184 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -73.22 -2.83 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.433 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.4 35.87 25.14 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.9 m -91.55 124.38 35.67 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.297 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -82.27 108.61 15.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.437 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.85 123.42 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.593 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' A' ' 55' ' ' LYS . 50.4 mt -91.53 133.08 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.5 tpt -58.67 80.18 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 53' ' ' ILE . 33.0 ttpt -70.84 -66.69 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.514 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -67.41 62.13 0.27 Allowed Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.553 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -64.51 -4.16 3.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.01 0.433 . . . . 0.0 109.883 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 60' ' ' PHE . 17.4 pt-20 -85.01 54.15 2.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.351 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 28' ' ' MET . 13.7 pt -46.48 -13.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 58' ' ' GLU . 90.4 m-85 -49.09 -29.08 4.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.547 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -53.02 -50.08 64.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.76 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -62.88 -51.21 67.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.141 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -59.94 153.45 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.578 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 54.38 -164.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.58 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.55 113.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.2 mp -72.24 -72.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -62.92 -176.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -59.06 -68.9 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.13 -86.75 0.08 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -168.08 -176.11 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.614 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.2 m 56.29 24.16 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.461 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.6 -179.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.587 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.51 -151.13 9.54 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.78 0 CA-C-O 117.993 -1.449 . . . . 0.0 110.922 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.02 128.97 9.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.5 mtp -76.32 -51.79 11.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.8 m -82.4 -52.81 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.522 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.522 ' N ' ' OD1' ' A' ' 5' ' ' ASN . 6.6 p-10 -176.55 -59.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.23 141.04 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 8' ' ' LYS . 34.8 m -57.58 -40.51 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.653 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' N ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -172.49 142.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 m -154.3 110.7 3.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.945 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -103.02 121.84 43.39 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.13 97.41 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.367 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.42 163.17 23.86 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.9 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -78.73 -18.5 54.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.51 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -83.94 16.84 2.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.438 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.26 -11.15 9.08 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -75.15 -179.0 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.544 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -151.77 124.7 8.57 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.197 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -84.26 155.72 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -142.98 117.54 9.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.51 151.66 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.024 0.44 . . . . 0.0 110.986 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -93.7 -174.46 3.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.953 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.51 -20.6 62.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.438 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -77.67 -0.43 26.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.121 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 -14.52 43.94 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.77 145.5 55.91 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.483 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 2.1 mtm -80.0 -172.38 3.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.06 0.457 . . . . 0.0 110.613 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.413 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -164.16 120.7 0.96 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.405 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.5 tpt -87.76 87.04 7.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 110.854 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.433 ' OE2' HD23 ' A' ' 62' ' ' LEU . 31.3 mt-10 -107.31 104.64 14.29 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.332 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.559 HD22 ' HB3' ' A' ' 32' ' ' PHE . 45.5 p-10 -66.52 179.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.6 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -10.69 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.056 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.559 ' HB3' HD22 ' A' ' 30' ' ' ASN . 4.0 t80 -80.25 11.56 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.606 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.91 2.89 40.75 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -102.2 -177.91 3.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.771 0.319 . . . . 0.0 110.341 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -116.96 120.38 38.22 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.391 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.2 mmt -91.13 115.83 28.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.346 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -65.86 92.09 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 34.2 ttm -98.31 116.63 65.48 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.963 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.3 155.29 0.41 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.799 1.666 . . . . 0.0 112.139 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -79.74 87.31 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.353 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.45 -9.97 0.6 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -73.17 79.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.511 0.672 . . . . 0.0 109.868 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 43' ' ' VAL . 5.8 t -36.87 129.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.876 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.8 mtm -114.13 134.35 54.95 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -114.46 122.86 47.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.815 0.34 . . . . 0.0 111.237 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.3 p -77.37 170.63 16.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.673 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -65.65 -38.24 88.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.47 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.6 -1.89 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.19 40.74 13.06 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -100.37 120.34 39.8 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.782 0.325 . . . . 0.0 110.232 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -81.26 108.59 15.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.037 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 pt -125.77 125.53 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.0 mm -89.45 145.6 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.6 tpt -69.36 77.78 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -71.73 -62.72 1.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.144 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.483 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -70.41 48.43 0.73 Allowed Glycine 0 CA--C 1.526 0.764 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.665 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -53.36 -12.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.185 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' C ' ' N ' ' A' ' 60' ' ' PHE . 17.9 mm-40 -78.9 52.7 1.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.626 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 28' ' ' MET . 23.5 pt -49.36 -12.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.676 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.468 ' N ' ' C ' ' A' ' 58' ' ' GLU . 59.7 t80 -49.09 -29.1 4.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.758 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' O ' ' OE2' ' A' ' 64' ' ' GLU . 13.9 tpp85 -53.94 -50.29 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.952 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.491 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -65.42 -51.46 60.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.243 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 63' ' ' ASP . 4.8 p-10 -87.04 100.19 12.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.583 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 61' ' ' ARG . 20.6 pt-20 -172.11 -39.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.502 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.77 -147.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -174.77 -17.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.754 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -79.32 -53.16 7.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.5 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -152.98 178.05 10.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.447 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.79 -20.73 70.22 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -164.26 -162.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.591 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 m 58.68 76.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -170.09 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.89 92.29 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.032 -1.427 . . . . 0.0 110.963 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.79 HG13 ' H ' ' A' ' 2' ' ' ASP . 2.6 p . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.79 ' H ' HG13 ' A' ' 1' ' ' VAL . 0.4 OUTLIER 60.06 135.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.424 ' O ' ' OD1' ' A' ' 5' ' ' ASN . 64.3 mtt -78.79 -51.79 9.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.7 p -46.25 -27.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 3' ' ' MET . 30.9 m120 55.4 41.88 30.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.632 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -57.25 157.09 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.486 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.5 m -151.75 155.73 6.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.968 0.413 . . . . 0.0 110.597 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -163.71 143.85 8.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.267 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.5 m -154.19 110.74 3.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.764 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -101.36 105.51 16.57 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.584 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.47 ' OD2' ' NZ ' ' A' ' 17' ' ' LYS . 1.1 m-20 -67.65 85.52 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 111.257 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 HG23 ' A' ' 18' ' ' VAL . 2.2 mp -58.44 160.33 5.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.057 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -77.72 -18.96 56.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.549 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -80.39 12.71 2.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.517 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.59 -12.79 26.13 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -74.77 -178.55 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.499 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' NZ ' ' OD2' ' A' ' 11' ' ' ASP . 66.7 mttm -151.54 122.81 7.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.476 HG23 HD13 ' A' ' 12' ' ' LEU . 2.0 t -81.08 155.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.137 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -143.01 116.98 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.33 156.37 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.969 0.414 . . . . 0.0 110.703 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -99.63 -162.01 0.92 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.456 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -75.03 -29.93 60.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.723 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 25' ' ' LYS . 38.1 t0 -77.7 16.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.79 -9.13 1.47 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 23' ' ' ASP . 41.7 mmtt -64.21 145.37 56.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.539 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 7.2 mtt -80.59 178.4 8.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.348 0.594 . . . . 0.0 111.231 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.51 125.86 1.84 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 tpt -93.09 83.82 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 111.821 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 17' ' ' LYS . 69.6 tt0 -110.25 109.07 19.4 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.75 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.593 HD22 ' HB3' ' A' ' 32' ' ' PHE . 7.1 p-10 -59.68 -166.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.795 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -81.46 -25.77 35.8 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.323 -179.617 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.593 ' HB3' HD22 ' A' ' 30' ' ' ASN . 39.3 t80 -84.67 18.61 2.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.798 0.332 . . . . 0.0 110.677 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.32 2.66 15.39 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HB2' ' HZ3' ' A' ' 34' ' ' LYS . 9.8 ttmm -81.83 133.04 35.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.292 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.637 ' OG ' HD12 ' A' ' 59' ' ' ILE . 5.3 t -82.51 112.3 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mtp -93.57 112.73 24.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.867 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' HA ' HD13 ' A' ' 59' ' ' ILE . 30.6 t-20 -64.68 92.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.645 -179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.4 ttm -98.66 126.25 39.69 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.96 157.88 58.55 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.549 1.499 . . . . 0.0 112.082 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -71.37 100.34 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.829 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.73 -19.5 1.13 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -72.3 84.36 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.446 0.641 . . . . 0.0 109.764 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 43' ' ' VAL . 4.4 t -44.71 123.58 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.207 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.1 mtm -103.18 153.39 20.39 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -136.93 126.43 25.15 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.999 0.428 . . . . 0.0 111.502 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.586 HG23 HD11 ' A' ' 52' ' ' ILE . 13.5 p -74.99 165.74 24.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.707 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.452 ' NH1' ' OD1' ' A' ' 48' ' ' ASP . 39.9 ptt85 -53.95 -38.2 64.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.336 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.452 ' OD1' ' NH1' ' A' ' 47' ' ' ARG . 61.1 m-20 -68.63 -44.73 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.306 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 127.32 34.05 0.59 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 m -84.84 135.6 34.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.33 . . . . 0.0 110.199 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -88.18 108.65 19.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.586 HD11 HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -128.11 118.69 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.715 179.332 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' LYS . 12.2 mm -85.55 145.34 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.194 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.19 75.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' ILE . 3.1 tppp? -63.31 -74.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.03 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.539 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.18 77.34 0.12 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.088 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -69.95 -4.09 19.06 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -82.7 74.52 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.244 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.637 HD12 ' OG ' ' A' ' 35' ' ' SER . 13.0 pt -73.21 -31.03 32.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.318 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 30.3 p90 -49.15 -29.09 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.618 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.427 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 9.2 tpt180 -53.45 -36.22 61.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.28 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.6 -51.23 50.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 24.4 p-10 -173.6 -115.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.663 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.465 ' H ' ' CG ' ' A' ' 63' ' ' ASP . 5.6 pt-20 32.58 97.25 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.514 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 67' ' ' ARG . . . 58.62 17.27 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.475 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 tp 55.21 -80.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 65' ' ' ALA . 80.0 mtt180 59.02 86.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.495 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 tptt 58.83 110.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.458 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.471 ' C ' ' N ' ' A' ' 71' ' ' SER . . . 164.52 140.71 2.94 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.655 ' ND1' HG12 ' A' ' 1' ' ' VAL . 87.3 m-70 50.17 11.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 0.0 110.602 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.471 ' N ' ' C ' ' A' ' 69' ' ' GLY . 85.4 p -73.29 40.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' A' ' 70' ' ' HIS . 75.0 mt-10 -55.43 86.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 177.67 150.22 8.39 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.672 0 CA-C-O 117.998 -1.445 . . . . 0.0 110.938 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 5.3 p-10 -175.48 -7.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.462 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -59.43 -31.93 69.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.598 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 t -71.08 -39.6 72.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -73.29 125.03 26.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.615 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 t -73.19 130.04 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.41 151.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HZ2' HG11 ' A' ' 20' ' ' VAL . 2.4 tppp? -99.05 143.11 29.7 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.46 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.2 m -154.19 111.09 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.772 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.41 105.55 15.53 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.1 85.36 0.73 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.87 0.367 . . . . 0.0 110.998 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD13 HG23 ' A' ' 18' ' ' VAL . 1.9 mp -56.63 161.87 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.723 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -79.0 -19.41 51.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.54 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -78.44 13.93 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.44 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.57 -7.18 20.43 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.5 p -74.7 -168.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.432 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -160.4 122.65 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.24 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 27' ' ' GLY . 1.4 t -95.41 149.14 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 119.16 11.09 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG11 ' HZ2' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -85.7 156.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.033 0.444 . . . . 0.0 111.108 -178.557 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -99.4 -164.16 1.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.372 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -74.83 -24.28 58.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -80.12 12.52 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.609 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.9 -11.48 1.9 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 23' ' ' ASP . 36.1 mtmt -66.28 146.03 55.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 8.3 mtt -80.23 -171.22 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.496 ' O ' HG13 ' A' ' 18' ' ' VAL . . . -156.62 112.41 0.52 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.498 ' H ' HG22 ' A' ' 59' ' ' ILE . 9.9 tpt -84.32 109.35 17.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 111.2 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -135.71 126.04 26.56 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.271 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -83.65 172.89 11.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.683 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HE3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -85.35 -7.15 59.11 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -80.62 -4.45 54.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.7 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.48 27.29 39.8 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -139.12 122.16 16.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.413 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 m -55.6 142.91 31.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.6 mtp -117.15 112.78 21.33 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -67.34 88.57 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.148 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 42.7 ttm -91.49 125.54 57.49 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.38 136.02 25.61 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.672 1.581 . . . . 0.0 112.002 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.22 127.37 10.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.807 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.34 -21.12 10.14 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -71.31 91.68 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.368 0.604 . . . . 0.0 109.51 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.0 125.03 12.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.17 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.4 mtm -107.24 153.94 21.96 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -136.51 131.23 33.66 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.909 0.385 . . . . 0.0 111.384 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.403 HG23 ' CD1' ' A' ' 52' ' ' ILE . 2.4 p -86.0 172.42 10.67 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.625 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -66.01 -38.23 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.225 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -65.8 -10.62 39.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.064 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.9 46.25 6.03 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.2 m -109.94 136.97 48.38 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HZ1' HD11 ' A' ' 53' ' ' ILE . 46.9 tttm -90.67 129.18 36.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.403 ' CD1' HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -137.71 123.03 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.71 179.287 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.496 ' O ' ' SD ' ' A' ' 26' ' ' MET . 13.8 mt -90.78 135.74 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.989 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 tpt -64.65 79.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.161 0.505 . . . . 0.0 110.36 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ILE . 89.8 mttt -73.57 -50.61 20.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.726 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.432 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -82.21 81.53 1.68 Allowed Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.115 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -78.59 -4.0 46.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -87.3 51.18 2.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.498 HG22 ' H ' ' A' ' 28' ' ' MET . 19.3 pt -45.98 -24.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.734 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -50.0 -28.7 7.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -53.0 -50.27 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.7 tp -50.5 -51.08 50.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.901 0.381 . . . . 0.0 110.154 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 64' ' ' GLU . 27.5 t70 52.44 -106.13 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' N ' ' OD2' ' A' ' 63' ' ' ASP . 69.4 tt0 -172.48 75.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.586 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -172.3 146.65 1.87 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.57 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.596 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.2 mp -72.21 -28.78 63.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.318 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -166.99 -170.4 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.501 ' CB ' ' NZ ' ' A' ' 68' ' ' LYS . 2.6 ttmp? -170.18 -29.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.1 121.13 0.73 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -59.73 -76.23 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.835 0.35 . . . . 0.0 110.545 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 73' ' ' GLY . 43.7 t -61.72 106.72 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 54.43 -83.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 64.84 -79.57 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.82 0 CA-C-O 118.004 -1.442 . . . . 0.0 110.952 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 72.4 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 5.0 p-10 -177.34 -172.17 0.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.503 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -52.28 -29.84 25.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.7 m -74.87 -45.58 42.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 52.35 56.64 7.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.457 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.2 t -63.65 118.79 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.705 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.5 m -152.81 -174.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.308 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -99.09 150.33 22.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.475 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 t -149.28 148.1 29.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.565 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.519 ' O ' ' N ' ' A' ' 12' ' ' LEU . 41.4 m-85 -137.63 96.08 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.944 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.98 87.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.883 0.373 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.1 tp -67.66 152.54 45.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.36 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -6.65 57.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.351 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -92.02 9.72 32.05 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.367 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.8 -16.49 31.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -83.55 -172.69 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.296 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -155.96 129.51 8.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.575 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -92.65 140.64 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.227 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CZ ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -133.91 120.48 20.42 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.25 156.44 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.147 0.498 . . . . 0.0 111.499 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 86.5 m-85 -100.43 -163.69 1.05 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.554 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -77.37 -17.75 57.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.335 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -78.49 -4.21 47.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 -4.45 78.0 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -80.8 145.81 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 17.5 mtt -77.99 -175.19 3.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.108 0.48 . . . . 0.0 110.806 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.57 112.28 0.51 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.492 ' H ' HG22 ' A' ' 59' ' ' ILE . 11.5 tpt -77.69 140.76 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.039 0.447 . . . . 0.0 111.311 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -156.81 116.02 3.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.128 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.578 HD22 ' HB3' ' A' ' 32' ' ' PHE . 31.5 p-10 -71.19 158.77 35.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.933 0.397 . . . . 0.0 110.854 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 pptp? -47.31 -21.81 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.233 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.578 ' HB3' HD22 ' A' ' 30' ' ' ASN . 13.6 t80 -80.31 11.13 3.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.76 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.35 2.74 15.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -88.44 143.18 27.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.552 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -81.01 119.93 24.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -106.52 137.01 45.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.06 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -79.24 93.19 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.008 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.1 ttm -91.67 114.48 62.03 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -48.31 140.46 20.41 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.665 1.577 . . . . 0.0 111.93 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.67 126.19 26.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.957 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . 110.31 -16.01 29.88 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -66.86 72.15 0.09 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.588 0.709 . . . . 0.0 109.316 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' GLY . 20.0 t -35.83 129.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.557 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.424 ' HB3' HD11 ' A' ' 12' ' ' LEU . 27.4 mtm -113.34 147.04 38.45 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -129.22 122.84 30.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.915 0.388 . . . . 0.0 111.078 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 p -81.52 167.32 19.45 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -53.76 -38.41 64.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.504 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -71.54 0.79 7.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.282 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.6 37.66 61.85 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.5 m -88.94 118.11 28.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.725 0.298 . . . . 0.0 110.401 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -76.5 108.69 9.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 pt -128.32 122.81 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.559 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 55' ' ' LYS . 59.7 mt -91.6 135.84 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.319 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.98 80.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 53' ' ' ILE . 34.0 ttmt -73.23 -63.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.648 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 58' ' ' GLU . . . -68.41 60.33 0.44 Allowed Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.619 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.4 -4.28 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.779 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 60' ' ' PHE . 54.9 mt-10 -85.84 55.09 3.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.329 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.492 HG22 ' H ' ' A' ' 28' ' ' MET . 11.5 pt -47.6 -12.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' GLU . 42.2 t80 -48.71 -28.92 3.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.741 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -59.46 -50.25 74.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.531 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.4 tt -57.2 -51.17 70.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.963 0.411 . . . . 0.0 110.049 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -47.86 -41.97 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.542 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.56 137.74 56.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.42 146.41 40.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.595 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.3 mp -68.56 -85.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.357 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 69' ' ' GLY . 56.9 mtp180 50.68 -142.8 0.65 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.534 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt 61.72 -0.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.427 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 67' ' ' ARG . . . 75.82 158.18 7.39 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.579 ' CG ' ' H ' ' A' ' 71' ' ' SER . 68.1 t60 -68.4 177.24 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.573 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.579 ' H ' ' CG ' ' A' ' 70' ' ' HIS . 51.6 p 53.62 -171.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 1.4 pm0 -168.33 155.43 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 179.79 54.71 0.08 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.754 0 CA-C-O 117.899 -1.501 . . . . 0.0 110.896 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 1' ' ' VAL . 6.4 p . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 1.2 p-10 -176.73 -20.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.406 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 3' ' ' MET . 1.8 tmt? -70.44 -51.73 27.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.447 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 6' ' ' VAL . 52.0 m -69.0 -29.2 67.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 3' ' ' MET . 59.4 m-80 55.73 8.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.627 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.411 ' H ' ' C ' ' A' ' 4' ' ' SER . 13.3 p -68.28 145.58 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.56 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.9 m -153.17 155.72 6.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.456 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HZ3' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -98.92 139.67 34.24 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p -149.84 147.87 28.49 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.273 0.559 . . . . 0.0 110.908 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CD1' ' O ' ' A' ' 9' ' ' THR . 26.9 m-85 -143.67 97.62 3.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.574 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 47' ' ' ARG . 11.9 m-20 -49.9 96.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.404 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 HD13 ' CG2' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -70.4 144.1 51.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.995 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -65.89 -10.31 37.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.23 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -90.36 12.62 17.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.464 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.89 -18.25 7.91 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.5 p -76.27 -178.01 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 110.535 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 29' ' ' GLU . 36.0 mtpt -149.95 125.3 10.16 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.236 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.417 ' CG2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -84.78 154.31 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -142.8 117.35 9.74 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.46 HG22 ' HZ3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -96.06 143.11 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 -178.52 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -81.47 -169.01 2.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.741 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -77.24 -19.79 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.477 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.54 1.19 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.392 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.56 -16.27 36.46 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -64.24 145.34 56.16 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.477 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 1.9 mtm -79.9 -176.94 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.655 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.83 118.06 0.81 Allowed Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 tpt -83.08 85.92 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 111.301 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 17' ' ' LYS . 47.5 tt0 -108.75 104.43 13.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.207 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 30' ' ' ASN . 49.8 p30 -72.0 155.02 40.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.354 . . . . 0.0 110.66 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.29 -5.17 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.955 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -80.45 -4.68 54.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.69 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.57 24.67 60.17 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -139.1 122.11 16.74 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.383 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.5 p -61.04 121.88 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.687 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.2 mtt -94.67 114.66 26.62 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.096 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -62.07 97.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.442 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 41.8 ttm -107.4 125.65 31.87 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.8 162.16 42.84 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.68 1.587 . . . . 0.0 112.053 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -73.6 111.0 8.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.959 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.88 -16.85 3.69 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -74.4 72.0 1.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.261 0.553 . . . . 0.0 109.516 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.444 ' H ' HG23 ' A' ' 43' ' ' VAL . 7.0 t -37.92 123.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.131 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 32.9 mtm -105.47 137.32 43.49 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -106.71 122.48 46.45 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.43 ' OG1' ' OD1' ' A' ' 48' ' ' ASP . 17.6 p -73.45 178.5 4.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.697 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' ASP . 73.6 ttt180 -73.73 -37.95 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.378 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.43 ' OD1' ' OG1' ' A' ' 46' ' ' THR . 7.8 p30 -72.25 -10.16 59.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.93 40.82 5.78 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.1 m -103.03 145.44 29.89 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -94.26 121.4 35.73 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.007 0.432 . . . . 0.0 110.942 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -137.71 117.65 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.707 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.709 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.4 mp -82.24 145.34 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.428 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.8 tpt -68.06 76.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -67.09 -69.27 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.159 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.477 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -67.14 61.31 0.23 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.878 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -60.64 -9.89 4.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.135 0.493 . . . . 0.0 109.709 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.11 73.08 8.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.462 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.1 pt -70.58 -12.3 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -49.92 -29.67 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.498 ' CD ' ' N ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -62.65 -48.15 80.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -50.48 -51.14 49.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.09 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -51.97 139.57 22.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.473 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -49.45 108.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -174.73 -85.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.619 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.607 HD22 ' N ' ' A' ' 66' ' ' LEU . 3.3 mm? -74.25 95.62 2.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -172.51 92.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.517 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -172.15 79.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.2 104.43 0.17 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.7 -73.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.738 0.304 . . . . 0.0 110.526 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.8 m -63.4 104.0 0.57 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.49 168.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.576 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.32 -166.91 0.4 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.758 0 CA-C-O 117.998 -1.445 . . . . 0.0 110.979 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.547 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 0.5 OUTLIER 57.52 77.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.665 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.2 tpt -78.17 -46.13 21.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.634 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.3 m -70.52 -49.85 43.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 2' ' ' ASP . 26.1 m-80 58.05 77.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.64 105.99 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.512 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . 33.0 m -79.64 172.27 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.675 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -158.2 149.35 20.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.393 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.9 m -152.75 110.86 3.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -109.29 99.0 8.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.191 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.14 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -73.08 163.45 28.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.43 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -79.1 -17.63 54.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.53 11.73 3.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.07 -11.55 42.04 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.0 p -87.49 178.88 6.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.752 0.31 . . . . 0.0 110.281 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -146.37 127.59 14.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.469 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.504 HG23 HD13 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -81.45 143.08 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.775 179.773 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -138.32 117.31 12.49 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.362 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.453 ' H ' ' HB3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -90.02 156.53 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 121.032 0.444 . . . . 0.0 111.522 -178.819 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -97.16 -166.33 1.38 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.407 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -73.92 -22.8 59.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.683 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -77.62 -4.63 46.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.46 -13.26 62.61 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -68.51 145.24 54.21 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.996 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.471 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 19.3 mtt -81.77 -173.02 4.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 110.961 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.409 ' H ' HG12 ' A' ' 18' ' ' VAL . . . 179.83 130.27 1.45 Allowed Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 93.8 mmm -73.37 155.44 39.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.256 0.55 . . . . 0.0 111.521 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 30' ' ' ASN . 0.4 OUTLIER -157.04 103.76 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.22 178.707 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.633 HD22 ' HB2' ' A' ' 32' ' ' PHE . 23.3 p-10 -73.88 -177.32 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.266 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -68.22 -25.0 64.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.526 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.633 ' HB2' HD22 ' A' ' 30' ' ' ASN . 34.9 m-85 -80.13 15.73 1.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.27 2.66 15.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -96.42 158.87 15.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.815 0.34 . . . . 0.0 110.32 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 m -82.84 167.58 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.735 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.7 mmt -144.52 112.74 6.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.473 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -52.23 136.43 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.26 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.1 ttm -145.84 114.43 4.68 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.085 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.05 139.75 33.54 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.651 1.567 . . . . 0.0 112.056 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.83 126.81 28.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.985 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.51 -11.57 35.99 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -72.55 71.39 0.96 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.393 0.616 . . . . 0.0 109.473 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 43' ' ' VAL . 21.9 t -31.69 131.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.492 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 24.3 mtm -114.12 149.85 34.98 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -127.48 122.48 33.53 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.775 0.322 . . . . 0.0 110.908 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.0 p -79.53 168.1 19.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -55.0 -38.26 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.548 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.72 -1.0 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.172 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 31.23 50.45 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.2 m -84.39 116.39 23.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 110.228 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -77.48 108.6 10.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.47 129.14 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.471 ' O ' ' SD ' ' A' ' 26' ' ' MET . 65.4 mt -89.51 142.36 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.431 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.3 tpt -72.08 87.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.741 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -62.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.814 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.449 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -74.29 80.13 0.88 Allowed Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.423 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -74.56 -8.91 57.85 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.98 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 58' ' ' GLU . 3.8 mp0 -82.58 70.04 9.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.178 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.0 pt -69.84 -12.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.03 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -49.04 -29.03 4.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.066 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -58.79 -50.4 74.09 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.047 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.4 tt -61.24 -51.12 70.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.896 0.379 . . . . 0.0 109.994 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 65' ' ' ALA . 38.2 t70 -56.69 169.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.7 -2.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 63' ' ' ASP . . . -77.61 60.43 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.585 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.1 mt -72.05 171.42 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' GLY . 81.1 ttt180 -167.4 149.22 5.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -64.15 76.68 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' SER . . . -67.45 -73.78 0.63 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.504 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -65.0 74.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.635 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' GLY . 30.5 t -170.04 115.11 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.51 91.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 179.5 -65.11 0.08 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.814 0 CA-C-O 117.992 -1.449 . . . . 0.0 110.933 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 3' ' ' MET . 6.1 m . . . . . 0 N--CA 1.498 1.958 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.484 ' OD1' ' C ' ' A' ' 1' ' ' VAL . 0.5 OUTLIER 60.9 -73.89 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.716 0.294 . . . . 0.0 110.818 178.727 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.532 ' N ' ' O ' ' A' ' 1' ' ' VAL . 27.4 ttt -54.14 -41.23 68.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.55 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -57.34 -52.56 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.3 t30 52.6 59.09 4.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.675 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 7' ' ' VAL . 12.2 p -131.13 154.99 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.439 ' N ' HG22 ' A' ' 6' ' ' VAL . 98.8 t -151.78 154.09 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.436 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -99.09 143.85 28.9 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -154.24 110.99 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.766 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -106.51 120.63 42.42 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.822 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.07 91.72 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.798 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.78 153.51 36.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.052 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -75.76 -14.33 60.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.606 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -81.41 12.29 3.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.45 -15.91 27.17 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.564 -1.015 . . . . 0.0 110.564 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 17' ' ' LYS . 26.6 t -87.87 -170.23 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.522 ' N ' ' OG ' ' A' ' 16' ' ' SER . 15.7 ptpt -163.09 146.83 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.771 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -98.88 155.64 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -142.34 118.04 10.44 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.244 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.62 156.65 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 111.312 -178.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -97.54 -162.48 0.96 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.152 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -77.35 -23.0 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.697 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -81.61 7.27 12.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.85 -13.11 14.39 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -64.91 145.54 56.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.49 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 9.9 mtt -80.03 179.48 7.58 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.145 0.498 . . . . 0.0 111.043 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.454 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -156.61 111.93 0.5 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.443 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.8 tpt -79.79 133.2 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' O ' ' OG ' ' A' ' 16' ' ' SER . 11.1 pt-20 -155.26 128.6 8.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.131 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.771 HD22 ' HB2' ' A' ' 32' ' ' PHE . 8.5 p-10 -73.1 -163.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -81.3 -31.38 33.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.771 ' HB2' HD22 ' A' ' 30' ' ' ASN . 84.3 m-85 -80.32 14.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.827 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.04 2.93 27.15 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -81.37 122.19 27.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.739 0.304 . . . . 0.0 110.321 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.5 p -62.1 130.1 43.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.734 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.9 mtt -116.75 112.9 21.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.847 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -61.68 109.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.018 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 30.1 ttm -108.69 124.23 34.93 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.78 144.97 2.09 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 121.523 1.482 . . . . 0.0 112.061 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -74.24 77.82 1.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.233 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.73 -19.07 0.11 Allowed Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.406 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -56.02 129.53 40.22 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.75 116.55 28.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.2 mtm -101.46 139.12 37.56 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -121.07 122.64 40.5 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.721 0.296 . . . . 0.0 110.851 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.1 p -79.63 162.66 25.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -53.69 -38.37 64.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.455 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.7 -5.07 22.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.252 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 30.92 35.07 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -89.74 116.44 27.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.831 0.348 . . . . 0.0 110.245 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -76.3 116.95 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 pt -136.04 118.43 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.672 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.49 ' O ' ' SD ' ' A' ' 26' ' ' MET . 63.7 mt -86.49 145.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.825 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.9 tpt -65.85 83.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.433 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -72.27 -69.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.208 0.528 . . . . 0.0 110.215 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.468 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -69.34 66.18 0.55 Allowed Glycine 0 CA--C 1.525 0.663 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.806 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -61.87 -6.3 2.65 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.851 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.523 ' OE1' ' NH2' ' A' ' 61' ' ' ARG . 31.4 mt-10 -80.03 74.93 6.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.138 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.443 HG22 ' H ' ' A' ' 28' ' ' MET . 25.0 pt -71.62 -12.34 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.823 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -51.84 -29.13 18.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.622 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.523 ' NH2' ' OE1' ' A' ' 58' ' ' GLU . 11.5 mpt_? -61.33 -50.25 73.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.427 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 tp -50.81 -51.02 54.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.262 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.07 119.33 22.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 51.23 78.71 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.19 134.48 53.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.594 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.1 mp -69.59 87.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.42 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 66' ' ' LEU . 55.6 ttp180 58.2 154.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.554 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 69' ' ' GLY . 3.6 tmtm? -60.32 101.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.19 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 68' ' ' LYS . . . -44.51 171.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 56.41 89.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.9 p -170.56 141.51 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -64.11 -35.4 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.475 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.17 90.68 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.696 0 CA-C-O 118.048 -1.418 . . . . 0.0 110.969 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.515 ' N ' ' H ' ' A' ' 70' ' ' HIS . 32.6 m . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -146.24 134.4 21.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 -179.591 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.8 mtt -55.25 -30.37 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.546 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.5 t -57.21 -23.6 48.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -75.18 104.36 5.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.8 m -131.1 154.91 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.469 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . 13.3 p -77.58 -15.84 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.555 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' NZ ' ' O ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -148.12 151.01 34.89 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.812 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.4 m -154.04 110.71 3.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.295 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -108.36 109.59 20.94 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.922 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.43 93.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.973 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.49 HD13 HG23 ' A' ' 18' ' ' VAL . 1.6 mp -71.51 160.5 32.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.089 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -75.97 -18.07 59.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.451 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -81.31 13.92 2.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.35 -11.2 13.41 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 p -80.12 -176.7 5.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.828 0.346 . . . . 0.0 110.552 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -151.05 126.24 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.388 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 HD13 ' A' ' 12' ' ' LEU . 1.7 t -81.52 152.31 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.518 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -142.85 117.16 9.59 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.426 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -94.35 156.55 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 121.343 0.592 . . . . 0.0 111.924 -178.574 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 94.2 m-85 -97.8 -166.14 1.34 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.498 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -77.41 -19.97 55.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.298 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -78.46 -4.39 48.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.02 -17.8 48.82 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -64.27 145.01 56.71 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 12.8 mtt -78.25 -167.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.59 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -162.49 115.8 0.68 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.462 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.1 tpt -87.47 145.49 26.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.208 0.528 . . . . 0.0 111.602 -178.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -156.11 117.96 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.617 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.562 HD22 ' HB3' ' A' ' 32' ' ' PHE . 19.1 p-10 -61.46 155.75 21.05 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.667 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -51.94 -5.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.402 -179.36 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.562 ' HB3' HD22 ' A' ' 30' ' ' ASN . 4.0 t80 -93.5 15.34 16.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.492 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.31 2.87 16.18 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.634 ' HZ3' ' HB3' ' A' ' 34' ' ' LYS . 5.2 ttpm? -95.55 164.45 12.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.384 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.0 p -75.58 144.08 42.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.706 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttt -129.54 115.28 17.21 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.827 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -68.61 98.48 0.89 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.237 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.4 ttm -106.95 115.45 60.22 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.926 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -43.89 151.63 0.43 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.919 1.746 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -76.93 83.39 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.326 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.31 -12.0 0.33 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -70.8 96.44 1.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.435 0.636 . . . . 0.0 109.598 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' H ' HG23 ' A' ' 43' ' ' VAL . 4.0 t -52.89 130.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.481 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 30.4 mtm -112.99 134.34 54.54 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -114.02 122.69 47.7 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.4 p -80.27 161.7 24.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -54.51 -38.18 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.19 -0.68 10.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.81 39.01 34.94 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -98.93 117.99 34.69 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.811 0.339 . . . . 0.0 110.236 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -76.78 119.43 20.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 pt -137.31 126.89 36.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.541 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.506 ' O ' ' SD ' ' A' ' 26' ' ' MET . 6.4 mm -89.86 145.24 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.953 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.5 tpt -69.35 79.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.691 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -68.47 -55.82 10.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.779 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.429 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -79.59 74.56 2.24 Favored Glycine 0 CA--C 1.523 0.536 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.08 -178.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -74.39 -5.45 42.45 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.323 -0.551 . . . . 0.0 109.595 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -86.74 52.12 2.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.868 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 28' ' ' MET . 12.3 pt -45.89 -23.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.849 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -49.0 -28.52 3.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.607 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.419 HH21 ' HB3' ' A' ' 65' ' ' ALA . 8.6 tpm_? -53.06 -50.35 64.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.336 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pp -54.63 -27.58 40.55 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.738 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.8 -72.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.445 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -70.21 148.77 48.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.399 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.419 ' HB3' HH21 ' A' ' 61' ' ' ARG . . . 54.97 80.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.502 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -82.89 -102.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.301 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' H ' ' CG ' ' A' ' 66' ' ' LEU . 65.6 ttp85 54.9 106.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -152.49 64.07 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.86 140.68 31.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.515 ' H ' ' N ' ' A' ' 1' ' ' VAL . 16.0 p-80 -66.69 144.67 56.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.524 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.5 t -169.56 140.03 2.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -63.33 81.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.24 -75.11 0.34 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.678 0 CA-C-O 118.088 -1.395 . . . . 0.0 110.988 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -155.02 75.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.531 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 3' ' ' MET . 1.7 tmt? -62.53 -51.76 66.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' VAL . 15.7 m -71.51 -36.06 70.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.523 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 54.87 -83.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' SER . 33.9 m -73.93 139.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.5 m -152.86 -10.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.403 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.82 130.33 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 m -154.04 110.82 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.648 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -96.34 104.77 16.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.745 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -71.03 87.39 0.75 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.082 0.468 . . . . 0.0 110.814 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.516 HD13 HG23 ' A' ' 18' ' ' VAL . 2.2 mp -55.24 147.93 15.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.803 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.429 ' NE2' ' OE2' ' A' ' 45' ' ' GLU . 67.5 mt-30 -71.7 -16.74 62.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.06 14.73 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.14 -14.25 15.98 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -68.25 -168.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.684 0.278 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -162.74 122.88 2.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.577 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.516 HG23 HD13 ' A' ' 12' ' ' LEU . 2.6 t -87.68 148.12 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 0.0 110.857 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -143.03 116.85 9.31 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.41 156.61 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 121.077 0.465 . . . . 0.0 111.483 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 64.0 m-85 -98.47 -164.96 1.19 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.538 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -77.31 -19.3 56.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -77.64 -4.44 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.72 -5.44 81.88 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -76.36 145.24 39.61 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.42 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 21.4 mtt -82.91 -169.73 2.65 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.061 0.457 . . . . 0.0 111.229 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.2 126.82 1.13 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 86.7 mmm -77.91 141.33 39.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.399 . . . . 0.0 111.506 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' CD ' ' CD2' ' A' ' 62' ' ' LEU . 15.9 mm-40 -147.69 104.09 3.57 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 34' ' ' LYS . 36.1 p-10 -76.94 175.06 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.147 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -54.58 -33.96 61.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.977 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -80.04 12.61 2.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.59 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.39 2.98 17.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 16.1 mtpp -82.16 145.37 30.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 p -79.06 135.92 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.99 114.51 28.68 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -64.35 88.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.964 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 36.1 ttm -104.4 123.43 40.52 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -76.16 163.05 33.39 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.794 1.663 . . . . 0.0 111.935 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -69.49 128.25 35.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 -23.55 7.92 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -70.97 101.9 2.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.282 0.563 . . . . 0.0 109.679 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -66.96 125.16 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.229 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.47 ' HB3' HD11 ' A' ' 12' ' ' LEU . 29.4 mtm -104.56 152.66 22.14 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' OE2' ' NE2' ' A' ' 13' ' ' GLN . 37.7 tt0 -134.13 123.24 24.08 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.924 0.392 . . . . 0.0 111.559 -178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.445 ' HG1' ' CB ' ' A' ' 50' ' ' THR . 20.0 p -65.6 178.65 0.95 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.572 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -67.2 -35.6 79.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.416 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 49' ' ' GLY . 3.1 p30 -73.71 -43.01 60.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.405 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 48' ' ' ASP . . . 129.43 39.23 0.3 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.445 ' CB ' ' HG1' ' A' ' 46' ' ' THR . 9.2 m -87.41 135.79 33.19 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -91.68 119.06 31.21 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.5 125.6 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.903 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.405 ' O ' ' SD ' ' A' ' 26' ' ' MET . 12.1 mm -89.04 145.69 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.834 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 11.3 tpt -73.7 88.86 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.201 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -80.09 -46.89 15.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.42 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -87.84 71.63 2.57 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.538 -178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -72.89 -14.72 61.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 60' ' ' PHE . 63.2 mt-10 -78.4 54.45 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.223 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.7 pt -46.03 -19.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.411 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.425 ' N ' ' C ' ' A' ' 58' ' ' GLU . 61.7 t80 -49.17 -28.51 4.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.461 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -52.64 -50.2 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.798 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' CD2' ' CD ' ' A' ' 29' ' ' GLU . 21.6 tp -50.4 -51.15 48.83 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.103 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.07 159.69 5.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.55 -172.77 1.51 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.676 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 67' ' ' ARG . . . -172.16 39.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tp 64.95 -3.63 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.449 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.486 ' H ' ' C ' ' A' ' 65' ' ' ALA . 70.1 mtp85 -72.95 -54.32 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -69.99 -46.57 64.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.544 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.78 -171.28 47.86 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -65.72 -12.42 53.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.353 . . . . 0.0 110.551 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.4 t -59.25 149.39 28.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.536 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -61.55 -36.26 80.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.95 92.95 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.645 0 CA-C-O 117.959 -1.467 . . . . 0.0 110.955 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 57.36 -178.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.436 ' C ' ' N ' ' A' ' 5' ' ' ASN . 12.3 tpt -66.5 -29.21 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.1 m -50.13 -13.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.525 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 3' ' ' MET . 58.5 t30 -53.13 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.532 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.82 106.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.532 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.3 m -76.06 -165.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.43 141.67 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.5 m -154.35 110.65 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -103.71 115.52 30.64 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.68 98.58 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.374 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.467 HD13 HG23 ' A' ' 18' ' ' VAL . 1.4 mp -69.09 163.38 24.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.921 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.94 -18.65 53.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -83.48 16.75 2.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.566 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.49 -15.33 7.51 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.2 p -74.36 174.8 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.445 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -146.48 123.58 11.46 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.467 HG23 HD13 ' A' ' 12' ' ' LEU . 1.3 t -79.86 156.12 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.12 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -143.37 117.24 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.23 153.48 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.093 0.473 . . . . 0.0 110.886 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -96.21 -165.96 1.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.339 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -76.96 -18.02 58.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.421 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.33 1.8 35.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.84 -16.55 26.15 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -64.11 146.0 54.96 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.3 mtt -79.35 -172.77 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.301 0.572 . . . . 0.0 111.219 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -158.94 113.52 0.57 Allowed Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 tpt -85.51 84.38 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 111.261 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -104.75 104.61 14.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.171 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.578 ' ND2' ' O ' ' A' ' 34' ' ' LYS . 16.5 p30 -64.24 160.93 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.727 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -10.05 56.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.883 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -80.09 11.45 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.755 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.32 32.63 82.56 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.578 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 65.7 mttm -139.14 161.54 37.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -90.38 119.06 30.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.623 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.448 ' SD ' ' C ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -95.9 112.66 24.33 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.189 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -65.17 105.23 1.04 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.777 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.9 ttm -108.7 122.93 38.65 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.916 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.36 144.92 4.17 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.538 1.492 . . . . 0.0 111.799 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -74.06 80.7 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.19 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.37 -15.66 0.16 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.559 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -58.3 129.89 44.12 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 t -83.01 113.5 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.658 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.0 mtm -98.04 135.09 40.23 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -118.63 122.52 42.75 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 110.995 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.2 p -75.88 176.8 7.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -67.76 -38.32 83.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -71.51 -6.32 39.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.201 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.75 32.52 15.01 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.5 m -90.24 116.3 28.11 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.854 0.359 . . . . 0.0 110.199 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -78.73 108.71 12.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.71 124.19 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.006 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.5 ' O ' ' SD ' ' A' ' 26' ' ' MET . 11.8 mm -87.91 145.89 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.01 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.8 tpt -71.84 84.29 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.559 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -75.44 -53.96 7.82 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.418 0.628 . . . . 0.0 110.349 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.446 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -75.9 63.48 2.78 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.908 -178.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -71.0 -4.15 23.28 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.808 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 60' ' ' PHE . 55.6 mt-10 -85.8 48.0 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.384 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 pt -46.01 -15.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.766 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' GLU . 54.5 t80 -49.22 -29.12 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -60.82 -50.01 75.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.2 tt -57.4 -51.25 70.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.196 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.06 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.559 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 64' ' ' GLU . 25.7 mp0 -73.12 -129.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.01 86.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.589 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.613 ' N ' HD22 ' A' ' 66' ' ' LEU . 3.3 mm? -73.82 172.38 11.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -72.17 97.3 1.93 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.434 ' H ' ' H ' ' A' ' 69' ' ' GLY . 60.7 pttt -171.88 7.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.434 ' H ' ' H ' ' A' ' 68' ' ' LYS . . . -63.38 -35.77 92.5 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -61.92 -55.09 33.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.506 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 m -66.05 133.1 50.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -173.76 175.45 2.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.47 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.48 96.64 0.01 OUTLIER Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.946 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.411 ' C ' ' OD1' ' A' ' 2' ' ' ASP . 32.7 m . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -145.78 40.4 1.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.524 -179.634 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.464 ' C ' ' H ' ' A' ' 5' ' ' ASN . 1.7 tmt? -67.98 -48.87 64.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.9 p -60.53 -2.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.597 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 5' ' ' ASN . 5.2 p-10 42.69 60.25 2.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.63 157.04 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.58 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.4 t -148.25 91.91 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -98.98 134.01 42.43 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.154 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 m -146.76 147.32 30.8 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.897 0.38 . . . . 0.0 110.84 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -140.54 98.11 3.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.072 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.71 95.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.218 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.482 HD13 HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -72.94 161.1 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.068 179.696 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -78.91 -16.0 57.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.462 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -83.01 12.97 4.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.25 -12.72 30.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.1 p -84.71 -179.66 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.292 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -148.87 127.63 12.53 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.282 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.482 HG23 HD13 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -83.82 152.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.393 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.525 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -142.69 117.4 9.83 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.708 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.27 156.73 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 121.059 0.457 . . . . 0.0 110.832 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.96 -163.38 1.04 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.132 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' H ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -77.45 -25.02 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.811 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -81.1 6.56 13.33 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.93 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.38 -14.4 34.86 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 121.2 -0.524 . . . . 0.0 111.988 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -64.07 145.77 55.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.079 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.8 mtt -81.52 -179.75 7.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.828 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.01 132.26 3.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.281 -1.127 . . . . 0.0 110.281 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.498 ' H ' HG22 ' A' ' 59' ' ' ILE . 7.8 tpt -112.62 112.36 23.82 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.792 0.33 . . . . 0.0 111.148 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -145.35 110.12 5.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.988 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -58.48 173.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.885 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -8.18 59.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.905 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -80.22 5.13 15.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.459 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.26 2.91 74.96 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -105.04 122.14 45.26 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.301 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.6 p -59.86 133.94 56.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.0 mmm -108.93 112.46 24.7 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.539 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -73.33 86.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.467 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 41.6 ttm -86.84 123.05 71.12 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.91 135.35 21.16 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.745 1.63 . . . . 0.0 111.981 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -46.78 127.56 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.648 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.05 -20.46 9.8 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -70.89 74.22 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.4 0.619 . . . . 0.0 109.644 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 43' ' ' VAL . 6.5 t -36.63 121.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.565 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 46.2 mtm -104.58 141.06 37.09 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -125.83 122.58 36.53 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.773 0.321 . . . . 0.0 110.886 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.6 p -79.69 162.95 24.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -53.72 -38.24 64.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.349 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -69.42 -4.76 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.87 30.48 35.26 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.2 m -86.7 116.32 24.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.704 0.287 . . . . 0.0 110.378 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -77.77 108.62 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.384 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -126.31 120.49 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.847 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.504 ' O ' ' SD ' ' A' ' 26' ' ' MET . 6.3 mm -84.06 145.53 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.833 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.44 81.19 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.084 0.469 . . . . 0.0 109.801 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -72.04 -76.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.095 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.483 ' H ' ' H ' ' A' ' 26' ' ' MET . . . -59.98 72.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.598 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' LYS . 41.4 t30 -70.79 -4.43 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 109.895 179.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -81.81 67.24 7.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.498 HG22 ' H ' ' A' ' 28' ' ' MET . 30.9 pt -61.66 -12.33 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.715 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.37 -29.17 65.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -55.72 -50.03 71.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.507 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.1 tt -52.71 -51.21 61.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 110.14 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 65' ' ' ALA . 1.1 m-20 -50.7 160.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.545 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 66' ' ' LEU . 80.0 mm-40 -52.63 85.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.37 42.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.601 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.414 ' H ' ' C ' ' A' ' 64' ' ' GLU . 11.7 mt 56.26 170.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.492 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -62.15 -55.01 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.511 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -72.83 139.66 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.581 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.24 -106.71 0.2 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 55.34 28.49 11.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 110.519 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.7 p 53.06 96.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -63.66 -28.1 69.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.68 81.11 0.1 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.695 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.89 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 3.6 p-10 -175.76 42.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.461 ' C ' ' N ' ' A' ' 5' ' ' ASN . 22.1 ptt? -75.32 -28.12 59.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.8 p -49.53 -12.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.461 ' N ' ' C ' ' A' ' 3' ' ' MET . 25.2 t-20 -46.45 154.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.1 p -57.38 135.62 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.54 178.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.04 145.89 26.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.8 m -154.19 110.87 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.423 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -107.81 102.47 11.68 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.845 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.41 86.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.078 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.457 HD13 HG23 ' A' ' 18' ' ' VAL . 2.9 mp -57.35 162.5 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.492 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -79.04 -21.19 47.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.327 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -79.23 14.93 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.69 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.9 -15.58 10.03 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 p -71.56 177.82 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.678 0.275 . . . . 0.0 110.389 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -151.64 122.99 7.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.892 0.377 . . . . 0.0 110.502 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 HD13 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -90.44 148.71 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.32 179.748 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.497 ' NE2' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -142.52 117.4 9.93 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.205 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -83.44 156.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.534 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.79 -170.33 1.74 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.5 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' NZ ' ' C ' ' A' ' 68' ' ' LYS . 48.8 mtmt -65.26 -24.86 67.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.638 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.539 ' CG ' HH22 ' A' ' 61' ' ' ARG . 1.4 m-20 -79.08 14.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.625 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.89 3.11 2.24 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 23' ' ' ASP . 87.3 mttt -82.19 145.47 30.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.494 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 10.2 mtt -78.47 178.78 7.48 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.407 0.622 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.429 ' O ' HG13 ' A' ' 18' ' ' VAL . . . -152.48 119.38 0.96 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.557 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.3 tpt -87.69 121.0 29.57 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.963 0.411 . . . . 0.0 111.162 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.475 ' OE2' ' N ' ' A' ' 30' ' ' ASN . 9.9 tp10 -144.25 130.1 19.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.745 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.475 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 37.9 p-10 -79.23 -166.41 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.014 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -80.74 -30.6 36.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.404 ' HB2' HD21 ' A' ' 30' ' ' ASN . 55.1 m-85 -80.17 17.14 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.611 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.45 2.93 17.2 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 52.5 tttp -83.65 126.45 32.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.816 0.341 . . . . 0.0 110.418 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.6 m -65.69 124.49 22.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 48.5 mmm -104.51 112.74 25.93 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.54 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -67.15 88.07 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.303 -179.304 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 46.3 ttm -91.83 125.34 57.58 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.79 135.38 19.42 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.834 1.689 . . . . 0.0 112.065 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -46.25 124.94 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.99 -20.23 7.66 Favored Glycine 0 N--CA 1.467 0.735 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -72.83 80.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.482 0.658 . . . . 0.0 109.748 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 43' ' ' VAL . 5.8 t -41.5 122.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.401 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 61.2 mtm -103.7 151.64 22.75 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -137.15 126.94 25.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.221 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.631 HG23 HD11 ' A' ' 52' ' ' ILE . 22.6 p -74.8 171.12 14.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.823 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -64.37 -30.46 71.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 49' ' ' GLY . 2.8 p30 -73.21 -44.18 60.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.284 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 48' ' ' ASP . . . 128.7 38.08 0.37 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -96.36 129.82 43.61 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -87.07 108.65 18.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.631 HD11 HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -122.6 122.63 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.629 179.056 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' SD ' ' A' ' 26' ' ' MET . 12.8 mm -87.93 144.28 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.069 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.6 tpt -68.51 78.59 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.499 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HZ2' ' HB2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -67.75 -73.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.039 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.494 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -64.19 86.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.902 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -74.89 -4.05 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.654 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 58' ' ' GLU . 25.3 mp0 -83.57 78.44 9.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.043 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.557 HG22 ' H ' ' A' ' 28' ' ' MET . 18.6 pt -71.09 -24.42 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.237 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.402 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 58.0 t80 -49.14 -28.94 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.798 0.332 . . . . 0.0 110.382 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.539 HH22 ' CG ' ' A' ' 23' ' ' ASP . 3.5 tpt180 -56.28 -29.06 60.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.546 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.497 ' CD2' ' NE2' ' A' ' 19' ' ' HIS . 16.2 mt -49.48 -27.81 4.67 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.633 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 17.0 p-10 -49.66 -70.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.666 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.499 ' H ' ' CG ' ' A' ' 63' ' ' ASP . 40.3 tt0 -173.81 140.94 0.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 67' ' ' ARG . . . -79.4 -63.02 1.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.647 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 tp 62.32 -70.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 65' ' ' ALA . 13.7 ptm180 -45.96 144.82 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.641 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' C ' ' NZ ' ' A' ' 22' ' ' LYS . 19.6 ptmt -72.71 -161.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.596 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.91 -103.0 0.16 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 86.4 t60 54.16 97.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.569 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.7 t 56.97 98.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.654 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -171.77 1.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.65 53.91 0.09 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.73 0 CA-C-O 117.966 -1.463 . . . . 0.0 110.941 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 5.9 p-10 -171.08 67.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.539 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.2 ptp -78.4 -29.62 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.6 m -57.0 -37.16 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -164.44 156.26 16.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.497 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 8' ' ' LYS . 2.1 m -57.77 105.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.36 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t 45.13 -89.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.733 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 6' ' ' VAL . 12.1 ttmt -171.25 139.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.55 147.78 28.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.108 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -138.33 102.38 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.883 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -68.34 98.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.725 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.477 HD13 HG23 ' A' ' 18' ' ' VAL . 2.5 mp -70.33 166.7 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.161 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.432 ' C ' ' H ' ' A' ' 15' ' ' GLY . 33.7 mm-40 -78.82 -22.78 45.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.521 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.92 10.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.512 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . 80.83 -10.31 47.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -83.96 -169.15 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.359 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -160.49 132.68 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.441 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.477 HG23 HD13 ' A' ' 12' ' ' LEU . 1.7 t -83.67 151.99 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -143.06 117.32 9.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.18 156.34 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.008 0.433 . . . . 0.0 111.27 -179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -94.86 -166.59 1.49 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.603 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -77.43 -21.52 52.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.516 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.58 -4.63 46.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.738 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.37 -16.32 59.2 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -65.9 144.83 56.55 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.87 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.502 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 8.3 mtt -77.4 -174.29 3.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.035 0.445 . . . . 0.0 110.57 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.59 125.14 1.44 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.462 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.5 tpt -90.26 81.53 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -105.57 104.57 14.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.284 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.2 p30 -71.83 160.27 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.694 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.532 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -74.59 -1.11 20.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.736 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.11 -4.85 56.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.526 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.21 7.27 87.95 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -122.24 122.05 38.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.825 0.345 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.7 m -59.68 129.77 43.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.529 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.5 mmt -101.91 130.37 48.39 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.049 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -82.35 89.08 6.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.203 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 41.8 ttm -95.36 124.19 54.28 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.66 149.24 73.41 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.458 1.439 . . . . 0.0 111.941 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.46 103.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.943 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.81 -16.42 2.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -71.56 100.69 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.333 0.587 . . . . 0.0 109.611 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.5 t -49.28 124.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.953 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 58.0 mtm -108.78 132.61 53.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -122.85 123.72 41.63 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.955 0.407 . . . . 0.0 111.514 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.1 p -84.24 162.21 20.24 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.018 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 mtp-105 -59.53 -38.33 80.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.385 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -65.08 -6.8 9.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.088 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.39 34.2 20.68 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.0 m -97.69 116.33 29.69 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.508 ' HZ3' HD11 ' A' ' 53' ' ' ILE . 49.0 tttm -79.69 108.62 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.632 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pt -119.81 149.1 22.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.567 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.508 HD11 ' HZ3' ' A' ' 51' ' ' LYS . 26.2 mm -107.18 145.47 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.5 tpt -70.66 83.72 0.62 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -72.08 -70.63 0.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.607 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.502 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.96 84.45 0.11 Allowed Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.811 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -76.49 -4.19 41.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -83.32 75.51 9.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 28' ' ' MET . 13.6 pt -73.27 -33.35 40.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.015 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 32.2 p90 -49.22 -28.85 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.623 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 8.2 tpm_? -53.09 -40.43 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.556 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 tp -50.53 -29.89 11.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.798 0.333 . . . . 0.0 110.456 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -59.41 112.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.54 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 55.46 105.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.512 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.41 26.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' CG ' ' H ' ' A' ' 67' ' ' ARG . 6.2 tp 51.45 -130.85 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.4 ' H ' ' CG ' ' A' ' 66' ' ' LEU . 56.2 ttp180 -172.09 -48.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.668 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -49.79 144.33 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.16 96.85 0.11 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.515 ' O ' ' CG ' ' A' ' 70' ' ' HIS . 86.4 t60 -171.22 9.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' GLY . 28.7 t -171.16 -81.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.589 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -58.85 85.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -65.92 -86.73 0.07 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 118.1 -1.389 . . . . 0.0 110.949 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.402 ' C ' ' OD1' ' A' ' 2' ' ' ASP . 27.6 m . . . . . 0 N--CA 1.496 1.841 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 1.6 p-10 -175.36 -27.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.495 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 3' ' ' MET . 1.8 mpt? -68.61 -48.9 62.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.599 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.4 ' C ' ' H ' ' A' ' 6' ' ' VAL . 68.9 m -63.57 -2.93 1.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 57.18 8.69 0.58 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.618 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 4' ' ' SER . 14.0 p -69.99 138.05 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.3 151.32 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.662 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -98.98 141.28 31.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.459 HG21 ' HZ1' ' A' ' 17' ' ' LYS . 40.2 m -154.28 124.5 6.88 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.876 0.369 . . . . 0.0 111.683 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -116.41 91.18 3.51 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -55.06 96.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.835 0.35 . . . . 0.0 110.221 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.536 HD11 ' HB3' ' A' ' 44' ' ' MET . 1.1 mp -63.44 164.9 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -78.93 -14.42 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.703 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.63 19.06 14.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.47 -19.4 7.11 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.9 m -63.4 165.91 7.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.691 0.281 . . . . 0.0 110.354 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.523 ' O ' ' CE1' ' A' ' 19' ' ' HIS . 13.4 mtpp -136.46 122.9 20.75 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.495 ' CG2' HD13 ' A' ' 12' ' ' LEU . 2.2 t -87.06 152.16 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.84 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -143.26 116.92 9.22 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.506 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.44 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.9 OUTLIER -107.06 138.64 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.664 -179.48 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CD1' ' NE ' ' A' ' 61' ' ' ARG . 28.9 m-85 -88.6 171.77 9.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.273 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -55.61 -20.4 13.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.66 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 25' ' ' LYS . 3.5 m-20 -77.5 10.11 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.005 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.34 -13.14 1.13 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 23' ' ' ASP . 20.1 mmmt -64.02 145.05 56.57 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 5.5 mtt -88.77 -176.35 5.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.328 0.585 . . . . 0.0 111.129 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.405 ' O ' HG13 ' A' ' 18' ' ' VAL . . . -141.47 -172.89 13.49 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 tpt -170.48 134.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.872 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 33' ' ' GLY . 31.8 tt0 -155.25 115.5 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.547 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.434 ' C ' ' N ' ' A' ' 32' ' ' PHE . 30.9 p30 -63.44 160.27 16.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -15.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.643 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 30' ' ' ASN . 92.4 m-85 -80.28 3.9 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' OE2' ' A' ' 29' ' ' GLU . . . 69.4 2.98 37.08 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -95.49 139.52 31.65 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.508 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -63.6 110.64 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.42 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -87.17 112.69 22.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.496 -179.749 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -62.01 85.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.373 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.2 ttm -90.58 124.21 63.16 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.29 139.52 35.25 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.319 1.346 . . . . 0.0 111.73 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.37 100.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.945 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.35 -24.38 0.77 Allowed Glycine 0 CA--C 1.525 0.696 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.306 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -67.35 137.01 55.68 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.151 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.8 t -83.9 124.92 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.899 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.536 ' HB3' HD11 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -99.64 145.91 27.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.01 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.7 tt0 -136.59 122.6 20.2 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.603 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 p -84.07 165.29 18.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.773 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 12' ' ' LEU . 63.8 mtt85 -64.52 -38.37 90.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.199 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.18 -8.01 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.186 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.99 46.28 6.74 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.7 m -111.21 123.75 50.82 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -80.12 128.31 33.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.157 0.503 . . . . 0.0 110.609 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -136.86 139.64 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.059 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.5 ' O ' ' SD ' ' A' ' 26' ' ' MET . 26.0 mm -107.04 141.54 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.401 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 6.9 tpt -63.1 89.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.602 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -80.9 -59.9 2.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.966 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -79.01 87.85 1.17 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -72.26 -13.93 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.677 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.525 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 48.7 mt-10 -82.65 64.98 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.382 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.22 -11.98 15.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.928 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -48.72 -28.89 3.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.454 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.525 ' NH1' ' O ' ' A' ' 58' ' ' GLU . 21.1 ptt-85 -63.73 -32.52 74.05 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.769 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -50.47 -51.26 48.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.997 0.427 . . . . 0.0 109.895 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' ALA . 17.3 m-20 -71.34 162.81 28.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.487 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.44 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 4.9 mp0 54.47 -84.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.527 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 55.94 27.19 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.5 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 65' ' ' ALA . 0.8 OUTLIER 28.3 -146.48 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.698 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -171.86 80.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.561 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -131.01 -10.19 3.82 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.348 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.41 166.38 0.18 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.499 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 49.2 p-80 -68.33 78.85 0.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.745 0.307 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.1 t -57.64 140.05 52.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.533 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 54.63 82.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.57 99.26 0.12 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.713 0 CA-C-O 118.021 -1.433 . . . . 0.0 110.992 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 3.0 p-10 -161.01 140.2 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.445 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.502 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 14.5 ptp -60.38 -30.54 69.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.568 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 t -48.65 -52.81 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 3' ' ' MET . 54.5 m-80 44.37 -159.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.763 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.444 HG22 ' N ' ' A' ' 7' ' ' VAL . 14.0 p -60.66 157.17 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.453 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.444 ' N ' HG22 ' A' ' 6' ' ' VAL . 51.6 t -148.81 80.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -99.09 134.51 41.83 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 4.3 t -154.72 148.24 25.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.068 0.461 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 9' ' ' THR . 14.4 m-85 -141.59 108.69 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.638 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.65 97.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.8 0.333 . . . . 0.0 110.957 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.34 154.42 41.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.943 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.496 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 20.8 t70 -84.44 12.94 6.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.535 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.07 -23.51 5.97 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 m -81.67 -168.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -162.95 146.62 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.6 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.543 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -103.29 127.65 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.071 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER -117.66 117.28 28.94 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.752 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.45 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -92.73 151.43 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.241 0.543 . . . . 0.0 112.046 -177.39 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -92.63 -165.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -77.39 -16.33 58.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.383 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -78.46 -4.46 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.39 -8.94 65.91 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -75.82 145.76 40.41 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.52 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 36.3 mtt -86.2 -167.97 2.06 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.543 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -178.46 111.92 0.35 Allowed Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 84.4 mmm -58.92 155.69 12.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.031 0.443 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -157.19 103.67 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.835 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 34' ' ' LYS . 34.6 p30 -84.09 153.0 24.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.773 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -62.68 -4.5 2.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.754 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -80.51 13.73 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.655 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.8 12.51 64.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' O ' ' OD1' ' A' ' 30' ' ' ASN . 68.8 mmtt -131.85 175.04 9.54 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.831 0.348 . . . . 0.0 110.272 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.479 ' OG ' ' N ' ' A' ' 36' ' ' MET . 11.3 t -91.05 177.47 6.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.479 ' N ' ' OG ' ' A' ' 35' ' ' SER . 6.5 mmt -142.14 122.68 14.13 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -64.77 123.76 20.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.593 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.9 ttm -136.88 121.69 12.68 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.462 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.31 136.77 16.24 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.659 1.573 . . . . 0.0 111.79 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.2 127.57 10.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.21 -24.56 6.94 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -69.92 99.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.327 0.584 . . . . 0.0 109.777 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 t -61.99 124.9 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.0 mtm -106.94 137.1 45.64 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -107.48 122.34 46.44 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.735 0.302 . . . . 0.0 110.945 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.2 p -79.11 165.29 23.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.46 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -54.34 -35.22 62.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.498 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -79.34 -4.07 49.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.429 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.23 31.9 36.84 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.5 m -85.38 132.2 34.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.771 0.319 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -83.44 117.26 22.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.94 0.4 . . . . 0.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -134.04 125.07 47.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.462 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.52 ' O ' ' SD ' ' A' ' 26' ' ' MET . 7.4 mm -91.19 138.32 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.749 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 10.6 tpt -65.98 105.72 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.065 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -96.58 -44.26 7.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.444 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -90.89 75.47 1.61 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.265 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -70.26 -14.91 62.81 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.616 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 60' ' ' PHE . 50.4 mt-10 -80.05 55.77 2.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.155 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 pt -46.39 -12.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.014 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 58' ' ' GLU . 95.6 m-85 -48.98 -29.04 4.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.65 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -57.75 -50.14 74.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.751 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.1 tp -59.13 -51.13 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.401 . . . . 0.0 110.416 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -64.13 111.6 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -171.59 -130.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.312 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -177.33 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -83.22 71.35 10.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.249 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.8 ptm85 -71.95 135.96 46.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -173.55 160.73 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.419 ' O ' ' OD1' ' A' ' 5' ' ' ASN . . . 160.96 174.48 30.86 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -171.88 -67.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.571 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 t -172.21 -25.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.24 -61.92 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 57.74 -92.41 0.03 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 117.944 -1.476 . . . . 0.0 111.008 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 3' ' ' MET . 2.5 p-10 -174.03 -98.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.488 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 75.7 mmm -52.16 -28.27 17.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.541 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -53.79 -28.5 35.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.594 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -159.93 108.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 7' ' ' VAL . 33.0 m -131.2 144.46 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 6' ' ' VAL . 6.8 t 60.13 140.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.679 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -172.48 142.22 1.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.538 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m -154.14 110.82 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.491 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -103.94 110.27 22.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.031 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.16 96.36 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 0.0 111.015 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD13 HG23 ' A' ' 18' ' ' VAL . 1.3 mp -73.13 161.8 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.038 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -78.96 -17.41 55.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.588 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -81.81 14.06 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.433 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.29 -9.79 25.16 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 p -80.61 -176.83 5.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.773 0.32 . . . . 0.0 110.45 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -152.24 123.26 7.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.212 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.486 HG23 HD13 ' A' ' 12' ' ' LEU . 1.8 t -78.22 153.52 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.669 -0.412 . . . . 0.0 109.934 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -143.04 116.96 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -91.5 156.83 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.976 0.417 . . . . 0.0 110.726 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -102.69 -165.53 1.19 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.341 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -71.73 -26.06 62.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.634 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 25' ' ' LYS . 4.0 m-20 -79.29 11.07 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.54 -11.54 2.27 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 23' ' ' ASP . 34.8 mtmt -64.23 145.59 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 8.1 mtt -80.38 176.46 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.437 0.637 . . . . 0.0 111.107 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.66 124.02 1.65 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.46 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.6 tpt -91.75 78.87 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 111.266 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -99.45 104.56 16.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.26 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -67.78 160.75 27.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.872 0.368 . . . . 0.0 110.715 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -2.44 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -80.31 13.53 2.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.48 25.19 72.62 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -139.06 169.23 18.16 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.813 0.339 . . . . 0.0 110.391 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.5 ' OG ' HD12 ' A' ' 59' ' ' ILE . 19.7 t -98.6 124.01 43.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -97.24 112.59 24.33 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.539 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -69.46 87.9 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.514 -179.269 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 39.1 ttm -91.13 125.03 59.94 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.57 134.52 22.45 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.564 1.509 . . . . 0.0 112.018 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.35 131.63 10.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.673 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.02 -21.52 15.58 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -70.34 87.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' H ' HG23 ' A' ' 43' ' ' VAL . 4.8 t -51.26 126.84 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.536 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.5 mtm -109.92 139.7 44.72 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 46' ' ' THR . 8.1 tp10 -123.37 122.71 38.99 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.523 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 27.4 p -80.7 156.2 26.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -58.35 -27.11 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.544 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.37 -4.49 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 109.974 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.27 16.83 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.474 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 21.3 m -111.04 116.2 30.76 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.83 115.1 20.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.459 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pt -126.95 126.21 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.79 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.488 ' O ' ' SD ' ' A' ' 26' ' ' MET . 65.7 mt -88.44 145.41 7.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 tpt -70.76 82.06 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.155 0.503 . . . . 0.0 109.672 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -72.61 -65.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.663 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.48 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -71.17 70.81 0.79 Allowed Glycine 0 CA--C 1.526 0.753 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.823 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -69.27 -4.56 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.479 -0.488 . . . . 0.0 109.881 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -82.17 61.44 5.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.133 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.5 HD12 ' OG ' ' A' ' 35' ' ' SER . 28.6 pt -54.9 -18.97 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.855 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -49.08 -28.71 4.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -52.75 -31.64 39.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.33 -30.74 12.77 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.208 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.25 163.53 27.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.578 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -61.66 126.51 27.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.571 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.91 64.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.457 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.2 44.56 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.483 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.32 148.03 46.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.666 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' CB ' ' NZ ' ' A' ' 68' ' ' LYS . 9.1 mtmp? -68.05 84.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.29 -160.04 5.76 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.9 t60 54.02 96.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 110.667 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.5 p -171.06 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 54.66 83.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.559 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.78 81.99 0.06 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.825 0 CA-C-O 118.038 -1.423 . . . . 0.0 110.9 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.692 ' H1 ' ' CE1' ' A' ' 70' ' ' HIS . 22.0 t . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.498 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 3.6 p-10 -178.09 -29.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.5 tpt -73.84 -49.15 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.9 t -75.25 -2.83 29.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -56.49 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.567 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 6' ' ' VAL . 7.3 p -74.63 124.81 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -91.78 177.34 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.5 ' NZ ' ' OH ' ' A' ' 10' ' ' TYR . 17.0 tptp -99.14 152.03 20.32 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.127 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -154.11 145.19 22.77 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.913 0.387 . . . . 0.0 111.35 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.5 ' OH ' ' NZ ' ' A' ' 8' ' ' LYS . 46.4 m-85 -141.81 98.31 3.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.741 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' HB3' ' HE ' ' A' ' 47' ' ' ARG . 1.3 m-20 -59.38 97.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.499 HD13 HG23 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -74.44 158.91 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.871 179.669 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -78.91 -13.96 59.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.433 ' OD2' HD23 ' A' ' 12' ' ' LEU . 8.0 p30 -84.0 11.36 7.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.58 -13.38 52.49 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 t -87.21 179.93 6.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.349 . . . . 0.0 110.547 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -147.51 128.58 14.59 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.932 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.499 HG23 HD13 ' A' ' 12' ' ' LEU . 1.3 t -81.45 157.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.97 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -142.45 116.89 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.444 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -106.18 142.42 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.094 0.473 . . . . 0.0 111.264 -178.486 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -84.45 -172.98 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.957 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -72.77 -18.66 61.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.392 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -77.64 -0.56 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.162 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.11 -15.99 35.7 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -64.32 145.34 56.19 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.2 mtt -85.66 -177.29 6.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.048 0.452 . . . . 0.0 110.923 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.53 120.7 1.0 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.1 tpt -93.27 88.01 5.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 110.965 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -106.45 110.36 22.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.832 0.349 . . . . 0.0 110.324 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.825 HD21 ' HG2' ' A' ' 36' ' ' MET . 23.7 p30 -71.78 143.05 49.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.518 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -63.13 -2.71 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.283 -179.568 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -80.64 16.26 1.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.602 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.17 20.12 76.28 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.474 ' C ' ' ND2' ' A' ' 30' ' ' ASN . 67.4 mttm -139.12 -178.92 5.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.437 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -106.97 169.77 8.35 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.609 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.825 ' HG2' HD21 ' A' ' 30' ' ' ASN . 16.2 mmt -142.97 112.75 6.96 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.964 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -65.9 89.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.3 ttm -92.59 116.07 65.87 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.778 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.04 153.06 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.887 1.725 . . . . 0.0 112.196 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -78.48 84.71 4.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.17 -14.02 0.55 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -66.46 80.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.367 0.603 . . . . 0.0 109.606 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.424 HG23 ' H ' ' A' ' 43' ' ' VAL . 17.2 t -39.05 128.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.91 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.1 mtm -111.69 136.62 50.68 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -116.32 122.6 45.37 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.738 0.304 . . . . 0.0 110.961 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.7 p -79.8 160.27 26.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.643 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HE ' ' HB3' ' A' ' 11' ' ' ASP . 13.4 ptp180 -55.01 -31.88 61.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.557 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.3 -4.81 44.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.206 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.19 29.54 37.03 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.7 m -86.79 116.34 24.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -76.65 108.61 9.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -128.7 121.11 54.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.676 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 55' ' ' LYS . 62.5 mt -90.17 138.15 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.233 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.1 tpt -60.29 78.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.791 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 53' ' ' ILE . 11.7 ttmm -71.24 -66.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.568 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -70.19 58.09 0.83 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.393 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -56.12 -10.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.277 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 56' ' ' GLY . 57.2 mt-10 -78.47 76.89 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.499 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.0 pt -73.02 -12.38 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.426 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 97.6 m-85 -57.78 -29.14 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.482 ' CD ' ' N ' ' A' ' 61' ' ' ARG . 9.5 mpt_? -59.0 -50.05 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.427 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -55.2 -51.34 66.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.183 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 60' ' ' PHE . 6.4 p30 -82.5 34.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -172.07 83.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.627 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 45.71 -162.61 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.582 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.446 ' O ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -165.79 177.62 7.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.571 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -85.55 117.25 24.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -78.0 85.22 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.524 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.76 -112.26 0.01 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.692 ' CE1' ' H1 ' ' A' ' 1' ' ' VAL . 69.6 t60 55.84 67.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.594 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.508 ' OG ' ' N ' ' A' ' 72' ' ' GLU . 23.0 t -172.51 -174.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.462 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' N ' ' OG ' ' A' ' 71' ' ' SER . 63.9 mt-10 -60.28 -36.92 78.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -177.7 -96.86 0.1 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.712 0 CA-C-O 118.023 -1.431 . . . . 0.0 110.925 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.676 0.274 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 m -154.21 110.98 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -102.94 109.81 21.5 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.942 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -61.26 96.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 111.072 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -69.68 159.7 32.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.941 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -76.63 -18.01 58.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.429 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -82.44 15.26 2.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.05 -21.48 5.74 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -79.38 -172.32 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.489 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -162.91 123.72 2.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.43 HG23 ' H ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -73.75 156.19 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -140.97 117.15 10.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.88 156.38 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.171 0.51 . . . . 0.0 111.349 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -100.12 -162.96 0.99 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.152 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -73.22 -30.22 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.71 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.485 ' C ' ' H ' ' A' ' 25' ' ' LYS . 40.9 t0 -77.65 15.67 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.089 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.59 -10.99 1.28 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 23' ' ' ASP . 35.5 mmtm -63.95 145.57 55.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 10.7 mtt -81.21 177.4 9.04 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 111.152 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.1 110.23 0.44 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.0 tpt -79.71 87.45 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.426 . . . . 0.0 111.112 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -108.47 112.82 25.42 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.138 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.805 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -71.88 148.11 46.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.886 0.374 . . . . 0.0 110.661 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.478 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -66.11 -4.99 8.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.208 -179.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.704 ' H ' HD22 ' A' ' 30' ' ' ASN . 15.0 t80 -80.46 18.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.701 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.56 24.47 72.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.805 ' H ' HD21 ' A' ' 30' ' ' ASN . 93.8 mttt -139.14 176.75 8.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 110.285 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 m -107.58 156.96 18.46 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.64 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.6 mmm -135.67 112.77 10.41 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.733 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.569 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.69 92.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 -179.519 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.475 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 15.1 ttm -90.8 127.9 50.33 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.55 129.96 18.75 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.436 1.424 . . . . 0.0 112.102 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 4.1 tm-20 -43.77 137.27 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.917 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.466 ' N ' ' OE2' ' A' ' 40' ' ' GLU . . . 99.68 -14.8 60.3 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.781 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -69.14 81.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.541 0.686 . . . . 0.0 109.551 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 43' ' ' VAL . 14.6 t -40.96 123.59 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.683 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.7 mtm -107.05 137.96 44.14 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -118.84 122.69 42.95 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.818 0.342 . . . . 0.0 111.054 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -75.61 169.57 17.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.604 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -61.87 -37.32 84.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.291 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -72.53 -6.32 43.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.395 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.07 31.72 22.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 m -88.43 116.4 26.63 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.857 0.36 . . . . 0.0 110.145 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -75.34 114.53 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 pt -134.27 117.9 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.561 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.495 ' O ' ' SD ' ' A' ' 26' ' ' MET . 67.8 mt -86.32 142.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.01 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 tpt -65.58 82.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.668 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.469 ' HZ2' ' HA ' ' A' ' 25' ' ' LYS . 25.2 ttpp -68.28 -67.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.195 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.449 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -74.61 77.59 1.07 Allowed Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.816 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -70.89 -8.4 52.57 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.8 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -77.91 76.71 4.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.235 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.9 pt -70.93 -12.24 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.723 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -51.0 -28.99 11.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -52.94 -47.92 67.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.699 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.091 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.722 0.296 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 m -154.19 110.93 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.766 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -103.4 115.38 30.43 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.929 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.01 93.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.499 HD13 HG23 ' A' ' 18' ' ' VAL . 1.6 mp -69.51 160.39 31.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.221 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -78.9 -17.2 55.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.516 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.5 15.35 2.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.79 -12.12 12.15 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 m -77.82 -178.27 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.499 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -152.01 123.53 7.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.099 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.499 HG23 HD13 ' A' ' 12' ' ' LEU . 1.9 t -78.7 152.88 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.993 0.425 . . . . 0.0 110.03 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -142.94 117.08 9.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 26' ' ' MET . 1.0 OUTLIER -96.27 147.43 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 120.994 0.426 . . . . 0.0 111.067 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -86.93 -166.43 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.613 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -77.4 -20.95 53.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -77.61 -0.02 24.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.461 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.94 -15.79 41.16 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -64.25 144.53 57.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.465 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 6.4 mtt -78.07 -173.7 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.055 0.455 . . . . 0.0 110.337 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.33 122.07 1.08 Allowed Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 tpt -87.76 80.69 7.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 0.0 110.97 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -106.88 111.56 24.12 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.374 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 32' ' ' PHE . 14.4 p30 -71.52 163.24 28.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.706 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.584 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -85.3 1.46 48.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.704 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.499 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 9.7 t80 -80.44 8.34 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.677 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.52 14.48 78.18 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 9.8 mtpm? -138.89 -179.76 6.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.736 0.303 . . . . 0.0 110.2 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.5 m -106.34 170.79 7.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.003 0.43 . . . . 0.0 110.804 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.428 ' HG2' HD22 ' A' ' 30' ' ' ASN . 13.9 mmt -142.21 113.54 7.7 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.674 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -68.56 94.92 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.37 -179.162 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 44.3 ttm -102.99 125.35 35.57 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.34 158.33 54.63 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.54 1.493 . . . . 0.0 111.966 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -70.28 107.98 3.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.92 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.75 -19.09 2.76 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -72.4 76.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.3 t -41.48 124.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.103 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 30.9 mtm -106.34 137.95 43.4 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -116.4 122.73 45.69 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.832 0.348 . . . . 0.0 110.843 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.2 p -80.73 160.35 24.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.725 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 12' ' ' LEU . 68.5 mtt85 -54.01 -38.2 64.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.458 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -68.96 -5.83 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.347 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.8 32.39 30.03 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.7 m -93.24 116.44 29.01 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.697 0.284 . . . . 0.0 110.411 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -76.71 116.69 17.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.502 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 pt -132.85 124.62 50.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.629 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.8 mt -86.84 145.39 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.759 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 tpt -69.22 82.34 0.35 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -72.73 -70.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.107 0.479 . . . . 0.0 110.503 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.47 77.35 0.13 Allowed Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.435 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.524 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 2.3 t-20 -74.78 -4.27 36.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.414 . . . . 0.0 110.19 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -83.84 70.92 10.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.9 pt -67.32 -22.4 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.62 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -53.62 -29.09 36.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -53.87 -41.17 67.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.525 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.736 0.303 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.5 m -154.29 111.02 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.813 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -102.35 119.51 38.94 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -70.67 97.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.003 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.51 153.0 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.17 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -79.02 -9.25 59.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.198 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -83.86 7.61 17.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.298 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.36 -19.56 39.04 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.5 m -90.8 -166.76 1.65 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.761 0.315 . . . . 0.0 110.536 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -162.82 137.06 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.266 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -86.65 157.67 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.76 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -142.31 117.21 9.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.79 152.05 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.906 0.384 . . . . 0.0 110.96 -178.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -92.34 -167.03 1.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.207 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.32 -14.67 59.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.555 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.48 0.45 52.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.759 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.13 -17.74 35.84 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -64.21 145.87 55.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.9 mtt -80.08 -178.54 6.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.418 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -158.78 109.54 0.41 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.405 ' H ' HG22 ' A' ' 59' ' ' ILE . 11.4 tpt -81.68 89.19 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 111.212 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -103.85 104.49 14.49 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.196 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.746 ' ND2' ' H ' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -70.8 138.53 50.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.646 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -55.89 -2.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 30' ' ' ASN . 7.9 t80 -80.31 4.65 17.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.824 0.345 . . . . 0.0 110.551 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.3 25.34 68.66 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.746 ' H ' ' ND2' ' A' ' 30' ' ' ASN . 51.5 mtpt -139.21 166.21 25.13 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.489 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 m -93.54 121.56 35.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.467 ' SD ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -93.38 124.72 37.56 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.215 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.509 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -78.37 88.48 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.541 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.0 ttm -93.02 114.48 62.8 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.197 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -47.3 147.22 6.03 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.709 1.606 . . . . 0.0 111.662 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 6.5 pt-20 -70.32 114.85 8.86 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.935 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . 124.29 -17.7 7.44 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -64.75 77.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.536 0.684 . . . . 0.0 109.516 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' GLY . 12.9 t -39.69 129.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.866 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.8 mtm -111.58 139.06 47.33 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -111.23 122.77 48.74 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.944 0.402 . . . . 0.0 111.297 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.7 p -80.2 173.97 12.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.57 -38.25 83.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.184 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -73.22 -2.83 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.433 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.4 35.87 25.14 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.9 m -91.55 124.38 35.67 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.297 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -82.27 108.61 15.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.437 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.85 123.42 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.593 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' A' ' 55' ' ' LYS . 50.4 mt -91.53 133.08 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.5 tpt -58.67 80.18 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 53' ' ' ILE . 33.0 ttpt -70.84 -66.69 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.514 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.456 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -67.41 62.13 0.27 Allowed Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.553 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.3 t-20 -64.51 -4.16 3.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.01 0.433 . . . . 0.0 109.883 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 60' ' ' PHE . 17.4 pt-20 -85.01 54.15 2.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.351 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 28' ' ' MET . 13.7 pt -46.48 -13.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 58' ' ' GLU . 90.4 m-85 -49.09 -29.08 4.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.547 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -53.02 -50.08 64.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.76 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.141 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 m -154.3 110.7 3.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.945 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -103.02 121.84 43.39 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.13 97.41 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.367 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.42 163.17 23.86 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.9 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -78.73 -18.5 54.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.51 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -83.94 16.84 2.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.438 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.26 -11.15 9.08 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -75.15 -179.0 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.544 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -151.77 124.7 8.57 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.197 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -84.26 155.72 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -142.98 117.54 9.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.51 151.66 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.024 0.44 . . . . 0.0 110.986 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -93.7 -174.46 3.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.953 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.51 -20.6 62.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.438 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -77.67 -0.43 26.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.121 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 -14.52 43.94 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.77 145.5 55.91 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.483 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 2.1 mtm -80.0 -172.38 3.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.06 0.457 . . . . 0.0 110.613 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.413 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -164.16 120.7 0.96 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.405 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.5 tpt -87.76 87.04 7.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 110.854 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.433 ' OE2' HD23 ' A' ' 62' ' ' LEU . 31.3 mt-10 -107.31 104.64 14.29 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.332 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.815 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -66.52 179.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.6 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -10.69 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.056 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.25 11.56 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.91 2.89 40.75 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.815 ' H ' HD21 ' A' ' 30' ' ' ASN . 67.2 mmtt -102.2 -177.91 3.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.771 0.319 . . . . 0.0 110.341 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -116.96 120.38 38.22 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.391 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.2 mmt -91.13 115.83 28.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.346 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.491 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -65.86 92.09 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.447 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 34.2 ttm -98.31 116.63 65.48 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.963 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.3 155.29 0.41 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.799 1.666 . . . . 0.0 112.139 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -79.74 87.31 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.353 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.45 -9.97 0.6 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -73.17 79.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.511 0.672 . . . . 0.0 109.868 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' H ' HG23 ' A' ' 43' ' ' VAL . 5.8 t -36.87 129.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.876 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.8 mtm -114.13 134.35 54.95 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -114.46 122.86 47.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.815 0.34 . . . . 0.0 111.237 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.3 p -77.37 170.63 16.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.673 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -65.65 -38.24 88.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.47 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.6 -1.89 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.19 40.74 13.06 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -100.37 120.34 39.8 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.782 0.325 . . . . 0.0 110.232 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -81.26 108.59 15.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.037 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 pt -125.77 125.53 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.0 mm -89.45 145.6 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.6 tpt -69.36 77.78 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -71.73 -62.72 1.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.144 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.483 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -70.41 48.43 0.73 Allowed Glycine 0 CA--C 1.526 0.764 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.665 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.518 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 2.1 t-20 -53.36 -12.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.185 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' C ' ' N ' ' A' ' 60' ' ' PHE . 17.9 mm-40 -78.9 52.7 1.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.626 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 28' ' ' MET . 23.5 pt -49.36 -12.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.676 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.468 ' N ' ' C ' ' A' ' 58' ' ' GLU . 59.7 t80 -49.09 -29.1 4.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.758 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -53.94 -50.29 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.952 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.491 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.243 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.714 0.292 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.5 m -154.19 110.74 3.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.764 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -101.36 105.51 16.57 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.584 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.47 ' OD2' ' NZ ' ' A' ' 17' ' ' LYS . 1.1 m-20 -67.65 85.52 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 111.257 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 HG23 ' A' ' 18' ' ' VAL . 2.2 mp -58.44 160.33 5.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.057 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -77.72 -18.96 56.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.549 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -80.39 12.71 2.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.517 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.59 -12.79 26.13 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -74.77 -178.55 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.499 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' NZ ' ' OD2' ' A' ' 11' ' ' ASP . 66.7 mttm -151.54 122.81 7.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.476 HG23 HD13 ' A' ' 12' ' ' LEU . 2.0 t -81.08 155.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.137 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -143.01 116.98 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.33 156.37 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.969 0.414 . . . . 0.0 110.703 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -99.63 -162.01 0.92 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.456 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -75.03 -29.93 60.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.723 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 25' ' ' LYS . 38.1 t0 -77.7 16.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.79 -9.13 1.47 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 23' ' ' ASP . 41.7 mmtt -64.21 145.37 56.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.539 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 7.2 mtt -80.59 178.4 8.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.348 0.594 . . . . 0.0 111.231 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.51 125.86 1.84 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 tpt -93.09 83.82 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 111.821 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 17' ' ' LYS . 69.6 tt0 -110.25 109.07 19.4 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.75 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.855 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -59.68 -166.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.795 -179.266 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.437 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -81.46 -25.77 35.8 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.323 -179.617 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.518 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 39.3 t80 -84.67 18.61 2.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.798 0.332 . . . . 0.0 110.677 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.32 2.66 15.39 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.855 ' H ' HD21 ' A' ' 30' ' ' ASN . 9.8 ttmm -81.83 133.04 35.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.292 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.637 ' OG ' HD12 ' A' ' 59' ' ' ILE . 5.3 t -82.51 112.3 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mtp -93.57 112.73 24.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.867 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.557 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -64.68 92.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.645 -179.079 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.4 ttm -98.66 126.25 39.69 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.96 157.88 58.55 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.549 1.499 . . . . 0.0 112.082 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -71.37 100.34 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.829 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.73 -19.5 1.13 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -72.3 84.36 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.446 0.641 . . . . 0.0 109.764 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 43' ' ' VAL . 4.4 t -44.71 123.58 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.207 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.1 mtm -103.18 153.39 20.39 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -136.93 126.43 25.15 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.999 0.428 . . . . 0.0 111.502 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.586 HG23 HD11 ' A' ' 52' ' ' ILE . 13.5 p -74.99 165.74 24.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.707 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.452 ' NH1' ' OD1' ' A' ' 48' ' ' ASP . 39.9 ptt85 -53.95 -38.2 64.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.336 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.452 ' OD1' ' NH1' ' A' ' 47' ' ' ARG . 61.1 m-20 -68.63 -44.73 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.306 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 127.32 34.05 0.59 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 m -84.84 135.6 34.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.33 . . . . 0.0 110.199 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -88.18 108.65 19.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.586 HD11 HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -128.11 118.69 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.715 179.332 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' LYS . 12.2 mm -85.55 145.34 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.194 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.19 75.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' ILE . 3.1 tppp? -63.31 -74.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.03 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.539 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.18 77.34 0.12 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.088 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -69.95 -4.09 19.06 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -82.7 74.52 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.244 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.637 HD12 ' OG ' ' A' ' 35' ' ' SER . 13.0 pt -73.21 -31.03 32.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.318 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 30.3 p90 -49.15 -29.09 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.618 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.427 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 9.2 tpt180 -53.45 -36.22 61.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.28 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.425 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HZ2' HG11 ' A' ' 20' ' ' VAL . 2.4 tppp? . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.716 0.293 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.2 m -154.19 111.09 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.772 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.41 105.55 15.53 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.1 85.36 0.73 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.87 0.367 . . . . 0.0 110.998 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.443 HD13 HG23 ' A' ' 18' ' ' VAL . 1.9 mp -56.63 161.87 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.723 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -79.0 -19.41 51.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.54 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -78.44 13.93 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.44 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.57 -7.18 20.43 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.5 p -74.7 -168.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.432 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -160.4 122.65 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.24 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 27' ' ' GLY . 1.4 t -95.41 149.14 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 119.16 11.09 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG11 ' HZ2' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -85.7 156.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.033 0.444 . . . . 0.0 111.108 -178.557 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -99.4 -164.16 1.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.372 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -74.83 -24.28 58.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -80.12 12.52 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.609 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.9 -11.48 1.9 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 23' ' ' ASP . 36.1 mtmt -66.28 146.03 55.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 8.3 mtt -80.23 -171.22 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.496 ' O ' HG13 ' A' ' 18' ' ' VAL . . . -156.62 112.41 0.52 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.498 ' H ' HG22 ' A' ' 59' ' ' ILE . 9.9 tpt -84.32 109.35 17.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 111.2 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -135.71 126.04 26.56 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.271 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -83.65 172.89 11.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.683 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HE3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -85.35 -7.15 59.11 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -80.62 -4.45 54.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.7 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.48 27.29 39.8 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -139.12 122.16 16.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.413 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 m -55.6 142.91 31.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.6 mtp -117.15 112.78 21.33 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -67.34 88.57 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.148 -179.516 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 42.7 ttm -91.49 125.54 57.49 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.38 136.02 25.61 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.672 1.581 . . . . 0.0 112.002 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.22 127.37 10.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.807 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.34 -21.12 10.14 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -71.31 91.68 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.368 0.604 . . . . 0.0 109.51 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.0 125.03 12.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.17 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.4 mtm -107.24 153.94 21.96 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -136.51 131.23 33.66 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.909 0.385 . . . . 0.0 111.384 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.403 HG23 ' CD1' ' A' ' 52' ' ' ILE . 2.4 p -86.0 172.42 10.67 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.625 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -66.01 -38.23 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.225 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -65.8 -10.62 39.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.064 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.9 46.25 6.03 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.2 m -109.94 136.97 48.38 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HZ1' HD11 ' A' ' 53' ' ' ILE . 46.9 tttm -90.67 129.18 36.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.403 ' CD1' HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -137.71 123.03 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.71 179.287 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.496 ' O ' ' SD ' ' A' ' 26' ' ' MET . 13.8 mt -90.78 135.74 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.989 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 tpt -64.65 79.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.161 0.505 . . . . 0.0 110.36 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ILE . 89.8 mttt -73.57 -50.61 20.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.726 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.432 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -82.21 81.53 1.68 Allowed Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.115 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.527 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 1.1 t-20 -78.59 -4.0 46.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -87.3 51.18 2.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.498 HG22 ' H ' ' A' ' 28' ' ' MET . 19.3 pt -45.98 -24.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.734 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -50.0 -28.7 7.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -53.0 -50.27 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.7 tp . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.901 0.381 . . . . 0.0 110.154 179.753 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 t -149.28 148.1 29.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.565 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.519 ' O ' ' N ' ' A' ' 12' ' ' LEU . 41.4 m-85 -137.63 96.08 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.944 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.98 87.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.883 0.373 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.1 tp -67.66 152.54 45.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.36 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.607 HE21 ' N ' ' A' ' 14' ' ' ASP . 1.6 pp0? -79.14 -6.65 57.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.351 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.607 ' N ' HE21 ' A' ' 13' ' ' GLN . 21.9 t70 -92.02 9.72 32.05 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.367 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.8 -16.49 31.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -83.55 -172.69 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.296 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -155.96 129.51 8.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.575 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -92.65 140.64 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.227 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CZ ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -133.91 120.48 20.42 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.25 156.44 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.147 0.498 . . . . 0.0 111.499 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 86.5 m-85 -100.43 -163.69 1.05 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.554 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -77.37 -17.75 57.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.335 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -78.49 -4.21 47.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 -4.45 78.0 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -80.8 145.81 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 17.5 mtt -77.99 -175.19 3.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.108 0.48 . . . . 0.0 110.806 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.57 112.28 0.51 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.492 ' H ' HG22 ' A' ' 59' ' ' ILE . 11.5 tpt -77.69 140.76 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.039 0.447 . . . . 0.0 111.311 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -156.81 116.02 3.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.128 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.848 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -71.19 158.77 35.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.933 0.397 . . . . 0.0 110.854 -179.589 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 pptp? -47.31 -21.81 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.233 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -80.31 11.13 3.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.76 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.35 2.74 15.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.848 ' H ' HD21 ' A' ' 30' ' ' ASN . 61.5 tttp -88.44 143.18 27.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.552 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -81.01 119.93 24.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -106.52 137.01 45.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.06 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.509 ' ND2' HD21 ' A' ' 57' ' ' ASN . 0.7 OUTLIER -79.24 93.19 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.008 -179.588 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.1 ttm -91.67 114.48 62.03 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -48.31 140.46 20.41 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.665 1.577 . . . . 0.0 111.93 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.67 126.19 26.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.957 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . 110.31 -16.01 29.88 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -66.86 72.15 0.09 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.588 0.709 . . . . 0.0 109.316 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' GLY . 20.0 t -35.83 129.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.557 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.424 ' HB3' HD11 ' A' ' 12' ' ' LEU . 27.4 mtm -113.34 147.04 38.45 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -129.22 122.84 30.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.915 0.388 . . . . 0.0 111.078 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 p -81.52 167.32 19.45 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -53.76 -38.41 64.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.504 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -71.54 0.79 7.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.282 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.6 37.66 61.85 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.5 m -88.94 118.11 28.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.725 0.298 . . . . 0.0 110.401 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -76.5 108.69 9.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 pt -128.32 122.81 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.559 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 55' ' ' LYS . 59.7 mt -91.6 135.84 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.319 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.98 80.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 53' ' ' ILE . 34.0 ttmt -73.23 -63.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.648 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 58' ' ' GLU . . . -68.41 60.33 0.44 Allowed Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.619 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.8 t-20 -60.4 -4.28 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.779 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 60' ' ' PHE . 54.9 mt-10 -85.84 55.09 3.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.329 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.492 HG22 ' H ' ' A' ' 28' ' ' MET . 11.5 pt -47.6 -12.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' GLU . 42.2 t80 -48.71 -28.92 3.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.741 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -59.46 -50.25 74.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.531 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.4 tt . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 120.963 0.411 . . . . 0.0 110.049 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HZ3' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.61 0.243 . . . . 0.0 110.441 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p -149.84 147.87 28.49 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.273 0.559 . . . . 0.0 110.908 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CD1' ' O ' ' A' ' 9' ' ' THR . 26.9 m-85 -143.67 97.62 3.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.574 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 47' ' ' ARG . 11.9 m-20 -49.9 96.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.404 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.417 HD13 ' CG2' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -70.4 144.1 51.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.995 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -65.89 -10.31 37.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.23 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -90.36 12.62 17.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.464 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.89 -18.25 7.91 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.5 p -76.27 -178.01 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 110.535 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 29' ' ' GLU . 36.0 mtpt -149.95 125.3 10.16 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.236 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.417 ' CG2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -84.78 154.31 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -142.8 117.35 9.74 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.46 HG22 ' HZ3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -96.06 143.11 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 -178.52 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -81.47 -169.01 2.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.741 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -77.24 -19.79 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.477 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.54 1.19 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.392 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.56 -16.27 36.46 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -64.24 145.34 56.16 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.477 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 1.9 mtm -79.9 -176.94 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.655 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.83 118.06 0.81 Allowed Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 tpt -83.08 85.92 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 111.301 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 17' ' ' LYS . 47.5 tt0 -108.75 104.43 13.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.207 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 30' ' ' ASN . 49.8 p30 -72.0 155.02 40.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.354 . . . . 0.0 110.66 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.29 -5.17 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.955 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -80.45 -4.68 54.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.69 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.57 24.67 60.17 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -139.1 122.11 16.74 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.383 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.5 p -61.04 121.88 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.687 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.2 mtt -94.67 114.66 26.62 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.096 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.489 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -62.07 97.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.442 -179.38 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.516 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 41.8 ttm -107.4 125.65 31.87 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.8 162.16 42.84 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.68 1.587 . . . . 0.0 112.053 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -73.6 111.0 8.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.959 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.88 -16.85 3.69 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -74.4 72.0 1.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.261 0.553 . . . . 0.0 109.516 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.444 ' H ' HG23 ' A' ' 43' ' ' VAL . 7.0 t -37.92 123.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.131 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 32.9 mtm -105.47 137.32 43.49 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -106.71 122.48 46.45 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.43 ' OG1' ' OD1' ' A' ' 48' ' ' ASP . 17.6 p -73.45 178.5 4.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.697 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' ASP . 73.6 ttt180 -73.73 -37.95 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.378 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.43 ' OD1' ' OG1' ' A' ' 46' ' ' THR . 7.8 p30 -72.25 -10.16 59.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.93 40.82 5.78 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.1 m -103.03 145.44 29.89 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -94.26 121.4 35.73 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.007 0.432 . . . . 0.0 110.942 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -137.71 117.65 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.707 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.709 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.4 mp -82.24 145.34 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.428 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.8 tpt -68.06 76.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -67.09 -69.27 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.159 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.477 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -67.14 61.31 0.23 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.878 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -60.64 -9.89 4.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.135 0.493 . . . . 0.0 109.709 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.11 73.08 8.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.462 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.1 pt -70.58 -12.3 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -49.92 -29.67 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.498 ' CD ' ' N ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -62.65 -48.15 80.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.09 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.453 ' HB3' ' H ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.851 0.357 . . . . 0.0 110.393 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.9 m -152.75 110.86 3.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -109.29 99.0 8.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.191 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.14 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -73.08 163.45 28.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.43 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -79.1 -17.63 54.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.53 11.73 3.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.07 -11.55 42.04 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.0 p -87.49 178.88 6.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.752 0.31 . . . . 0.0 110.281 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -146.37 127.59 14.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.469 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.504 HG23 HD13 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -81.45 143.08 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.775 179.773 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -138.32 117.31 12.49 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.362 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.453 ' H ' ' HB3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -90.02 156.53 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 121.032 0.444 . . . . 0.0 111.522 -178.819 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -97.16 -166.33 1.38 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.407 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -73.92 -22.8 59.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.683 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -77.62 -4.63 46.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.46 -13.26 62.61 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -68.51 145.24 54.21 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.996 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.471 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 19.3 mtt -81.77 -173.02 4.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 110.961 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.409 ' H ' HG12 ' A' ' 18' ' ' VAL . . . 179.83 130.27 1.45 Allowed Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 93.8 mmm -73.37 155.44 39.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.256 0.55 . . . . 0.0 111.521 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 30' ' ' ASN . 0.4 OUTLIER -157.04 103.76 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.22 178.707 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.836 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -73.88 -177.32 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.266 -179.161 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -68.22 -25.0 64.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.526 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -80.13 15.73 1.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.27 2.66 15.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.836 ' H ' HD21 ' A' ' 30' ' ' ASN . 68.3 mttm -96.42 158.87 15.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.815 0.34 . . . . 0.0 110.32 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 m -82.84 167.58 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.735 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.7 mmt -144.52 112.74 6.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.473 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.699 HD22 ' N ' ' A' ' 38' ' ' MET . 0.1 OUTLIER -52.23 136.43 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.26 -179.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.699 ' N ' HD22 ' A' ' 37' ' ' ASN . 9.1 ttm -145.84 114.43 4.68 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.085 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.05 139.75 33.54 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.651 1.567 . . . . 0.0 112.056 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.83 126.81 28.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.985 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.51 -11.57 35.99 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -72.55 71.39 0.96 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.393 0.616 . . . . 0.0 109.473 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 43' ' ' VAL . 21.9 t -31.69 131.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.492 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 24.3 mtm -114.12 149.85 34.98 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -127.48 122.48 33.53 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.775 0.322 . . . . 0.0 110.908 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.0 p -79.53 168.1 19.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -55.0 -38.26 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.548 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.72 -1.0 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.172 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 31.23 50.45 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.2 m -84.39 116.39 23.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 110.228 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -77.48 108.6 10.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.47 129.14 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.471 ' O ' ' SD ' ' A' ' 26' ' ' MET . 65.4 mt -89.51 142.36 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.431 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.3 tpt -72.08 87.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.741 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -62.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.814 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.449 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -74.29 80.13 0.88 Allowed Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.423 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.2 t-20 -74.56 -8.91 57.85 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.98 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 58' ' ' GLU . 3.8 mp0 -82.58 70.04 9.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.178 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.0 pt -69.84 -12.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.03 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -49.04 -29.03 4.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.066 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -58.79 -50.4 74.09 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.047 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.4 tt . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.896 0.379 . . . . 0.0 109.994 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.779 0.323 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -154.24 110.99 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.766 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -106.51 120.63 42.42 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.822 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.07 91.72 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.798 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.78 153.51 36.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.052 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -75.76 -14.33 60.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.606 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -81.41 12.29 3.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.45 -15.91 27.17 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.564 -1.015 . . . . 0.0 110.564 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 17' ' ' LYS . 26.6 t -87.87 -170.23 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.522 ' N ' ' OG ' ' A' ' 16' ' ' SER . 15.7 ptpt -163.09 146.83 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.771 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -98.88 155.64 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -142.34 118.04 10.44 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.244 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.62 156.65 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 111.312 -178.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -97.54 -162.48 0.96 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.152 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -77.35 -23.0 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.697 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -81.61 7.27 12.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.85 -13.11 14.39 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -64.91 145.54 56.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.49 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 9.9 mtt -80.03 179.48 7.58 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.145 0.498 . . . . 0.0 111.043 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.454 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -156.61 111.93 0.5 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.443 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.8 tpt -79.79 133.2 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' O ' ' OG ' ' A' ' 16' ' ' SER . 11.1 pt-20 -155.26 128.6 8.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.131 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.817 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -73.1 -163.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -81.3 -31.38 33.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -80.32 14.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.827 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.04 2.93 27.15 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.817 ' H ' HD21 ' A' ' 30' ' ' ASN . 65.2 mmtt -81.37 122.19 27.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.739 0.304 . . . . 0.0 110.321 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.5 p -62.1 130.1 43.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.734 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.9 mtt -116.75 112.9 21.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.847 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.558 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -61.68 109.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.018 -179.638 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.46 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 30.1 ttm -108.69 124.23 34.93 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.78 144.97 2.09 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 121.523 1.482 . . . . 0.0 112.061 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -74.24 77.82 1.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.233 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.73 -19.07 0.11 Allowed Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.406 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -56.02 129.53 40.22 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.75 116.55 28.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.2 mtm -101.46 139.12 37.56 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -121.07 122.64 40.5 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.721 0.296 . . . . 0.0 110.851 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.1 p -79.63 162.66 25.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -53.69 -38.37 64.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.455 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.7 -5.07 22.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.252 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 30.92 35.07 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -89.74 116.44 27.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.831 0.348 . . . . 0.0 110.245 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -76.3 116.95 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 pt -136.04 118.43 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.672 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.49 ' O ' ' SD ' ' A' ' 26' ' ' MET . 63.7 mt -86.49 145.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.825 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.9 tpt -65.85 83.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.433 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -72.27 -69.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.208 0.528 . . . . 0.0 110.215 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.468 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -69.34 66.18 0.55 Allowed Glycine 0 CA--C 1.525 0.663 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.806 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 38' ' ' MET . 3.8 t-20 -61.87 -6.3 2.65 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.851 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.523 ' OE1' ' NH2' ' A' ' 61' ' ' ARG . 31.4 mt-10 -80.03 74.93 6.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.138 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.443 HG22 ' H ' ' A' ' 28' ' ' MET . 25.0 pt -71.62 -12.34 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.823 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -51.84 -29.13 18.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.622 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.523 ' NH2' ' OE1' ' A' ' 58' ' ' GLU . 11.5 mpt_? -61.33 -50.25 73.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.427 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 tp . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.262 -179.861 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 121.004 0.431 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.4 m -154.04 110.71 3.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.295 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -108.36 109.59 20.94 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.922 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.43 93.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.973 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.49 HD13 HG23 ' A' ' 18' ' ' VAL . 1.6 mp -71.51 160.5 32.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.089 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -75.97 -18.07 59.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.451 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -81.31 13.92 2.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.35 -11.2 13.41 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 p -80.12 -176.7 5.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.828 0.346 . . . . 0.0 110.552 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -151.05 126.24 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.388 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 HD13 ' A' ' 12' ' ' LEU . 1.7 t -81.52 152.31 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.518 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -142.85 117.16 9.59 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.426 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -94.35 156.55 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 121.343 0.592 . . . . 0.0 111.924 -178.574 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 94.2 m-85 -97.8 -166.14 1.34 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.498 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -77.41 -19.97 55.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.298 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -78.46 -4.39 48.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.02 -17.8 48.82 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -64.27 145.01 56.71 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 12.8 mtt -78.25 -167.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.59 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.406 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -162.49 115.8 0.68 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.462 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.1 tpt -87.47 145.49 26.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.208 0.528 . . . . 0.0 111.602 -178.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -156.11 117.96 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.617 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.869 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -61.46 155.75 21.05 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.667 -179.427 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -51.94 -5.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.402 -179.36 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 30' ' ' ASN . 4.0 t80 -93.5 15.34 16.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.492 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.31 2.87 16.18 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.869 ' H ' HD21 ' A' ' 30' ' ' ASN . 5.2 ttpm? -95.55 164.45 12.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.384 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.0 p -75.58 144.08 42.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.706 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttt -129.54 115.28 17.21 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.827 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.473 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -68.61 98.48 0.89 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.237 -179.468 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.4 ttm -106.95 115.45 60.22 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.926 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -43.89 151.63 0.43 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.919 1.746 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -76.93 83.39 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.326 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.31 -12.0 0.33 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -70.8 96.44 1.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.435 0.636 . . . . 0.0 109.598 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.456 ' H ' HG23 ' A' ' 43' ' ' VAL . 4.0 t -52.89 130.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.481 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 30.4 mtm -112.99 134.34 54.54 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -114.02 122.69 47.7 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.4 p -80.27 161.7 24.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -54.51 -38.18 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.19 -0.68 10.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.81 39.01 34.94 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -98.93 117.99 34.69 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.811 0.339 . . . . 0.0 110.236 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -76.78 119.43 20.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 pt -137.31 126.89 36.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.541 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.506 ' O ' ' SD ' ' A' ' 26' ' ' MET . 6.4 mm -89.86 145.24 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.953 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.5 tpt -69.35 79.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.691 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -68.47 -55.82 10.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.779 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.429 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -79.59 74.56 2.24 Favored Glycine 0 CA--C 1.523 0.536 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.08 -178.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.2 t-20 -74.39 -5.45 42.45 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.323 -0.551 . . . . 0.0 109.595 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -86.74 52.12 2.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.868 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 28' ' ' MET . 12.3 pt -45.89 -23.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.849 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -49.0 -28.52 3.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.607 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -53.06 -50.35 64.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.336 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.332 -0.172 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.738 -179.73 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 120.833 0.349 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 m -154.04 110.82 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.648 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -96.34 104.77 16.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.745 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -71.03 87.39 0.75 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.082 0.468 . . . . 0.0 110.814 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.516 HD13 HG23 ' A' ' 18' ' ' VAL . 2.2 mp -55.24 147.93 15.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.803 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -71.7 -16.74 62.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.06 14.73 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.14 -14.25 15.98 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -68.25 -168.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.684 0.278 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -162.74 122.88 2.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.577 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.516 HG23 HD13 ' A' ' 12' ' ' LEU . 2.6 t -87.68 148.12 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 0.0 110.857 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -143.03 116.85 9.31 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.41 156.61 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 121.077 0.465 . . . . 0.0 111.483 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 64.0 m-85 -98.47 -164.96 1.19 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.538 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -77.31 -19.3 56.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -77.64 -4.44 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.72 -5.44 81.88 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -76.36 145.24 39.61 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.42 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 21.4 mtt -82.91 -169.73 2.65 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.061 0.457 . . . . 0.0 111.229 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.2 126.82 1.13 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 86.7 mmm -77.91 141.33 39.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.399 . . . . 0.0 111.506 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' CD ' ' CD2' ' A' ' 62' ' ' LEU . 15.9 mm-40 -147.69 104.09 3.57 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 34' ' ' LYS . 36.1 p-10 -76.94 175.06 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.147 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -54.58 -33.96 61.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.977 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -80.04 12.61 2.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.59 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.39 2.98 17.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 16.1 mtpp -82.16 145.37 30.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 p -79.06 135.92 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.99 114.51 28.68 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -64.35 88.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.964 -179.302 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.53 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 36.1 ttm -104.4 123.43 40.52 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -76.16 163.05 33.39 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.794 1.663 . . . . 0.0 111.935 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -69.49 128.25 35.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 -23.55 7.92 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -70.97 101.9 2.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.282 0.563 . . . . 0.0 109.679 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -66.96 125.16 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.229 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.47 ' HB3' HD11 ' A' ' 12' ' ' LEU . 29.4 mtm -104.56 152.66 22.14 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -134.13 123.24 24.08 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.924 0.392 . . . . 0.0 111.559 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.445 ' HG1' ' CB ' ' A' ' 50' ' ' THR . 20.0 p -65.6 178.65 0.95 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.572 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -67.2 -35.6 79.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.416 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 49' ' ' GLY . 3.1 p30 -73.71 -43.01 60.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.405 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 48' ' ' ASP . . . 129.43 39.23 0.3 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.445 ' CB ' ' HG1' ' A' ' 46' ' ' THR . 9.2 m -87.41 135.79 33.19 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -91.68 119.06 31.21 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.5 125.6 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.903 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.405 ' O ' ' SD ' ' A' ' 26' ' ' MET . 12.1 mm -89.04 145.69 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.834 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 11.3 tpt -73.7 88.86 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.201 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -80.09 -46.89 15.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.42 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -87.84 71.63 2.57 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.538 -178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.9 t-20 -72.89 -14.72 61.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 60' ' ' PHE . 63.2 mt-10 -78.4 54.45 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.223 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.7 pt -46.03 -19.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.411 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.425 ' N ' ' C ' ' A' ' 58' ' ' GLU . 61.7 t80 -49.17 -28.51 4.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.461 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -52.64 -50.2 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.798 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.423 ' CD2' ' CD ' ' A' ' 29' ' ' GLU . 21.6 tp . . . . . 0 C--N 1.332 -0.195 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.103 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.712 0.292 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.5 m -154.35 110.65 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -103.71 115.52 30.64 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.68 98.58 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.374 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.467 HD13 HG23 ' A' ' 18' ' ' VAL . 1.4 mp -69.09 163.38 24.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.921 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.94 -18.65 53.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -83.48 16.75 2.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.566 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.49 -15.33 7.51 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.2 p -74.36 174.8 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.445 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -146.48 123.58 11.46 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.467 HG23 HD13 ' A' ' 12' ' ' LEU . 1.3 t -79.86 156.12 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.12 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -143.37 117.24 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.23 153.48 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.093 0.473 . . . . 0.0 110.886 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -96.21 -165.96 1.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.339 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' HZ2' ' HB3' ' A' ' 22' ' ' LYS . 1.1 ptpp? -76.96 -18.02 58.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.421 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.33 1.8 35.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.84 -16.55 26.15 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -64.11 146.0 54.96 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.3 mtt -79.35 -172.77 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.301 0.572 . . . . 0.0 111.219 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -158.94 113.52 0.57 Allowed Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 tpt -85.51 84.38 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 111.261 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -104.75 104.61 14.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.171 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.733 ' ND2' ' H ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -64.24 160.93 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.727 -179.686 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -10.05 56.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.883 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.584 ' N ' HD22 ' A' ' 30' ' ' ASN . 15.7 t80 -80.09 11.45 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.755 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.32 32.63 82.56 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.733 ' H ' ' ND2' ' A' ' 30' ' ' ASN . 65.7 mttm -139.14 161.54 37.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -90.38 119.06 30.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.623 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.448 ' SD ' ' C ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -95.9 112.66 24.33 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.189 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.506 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -65.17 105.23 1.04 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.777 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.438 ' N ' HD22 ' A' ' 37' ' ' ASN . 29.9 ttm -108.7 122.93 38.65 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.916 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.36 144.92 4.17 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.538 1.492 . . . . 0.0 111.799 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -74.06 80.7 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.19 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.37 -15.66 0.16 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.559 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -58.3 129.89 44.12 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 t -83.01 113.5 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.658 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.0 mtm -98.04 135.09 40.23 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -118.63 122.52 42.75 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 110.995 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.2 p -75.88 176.8 7.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -67.76 -38.32 83.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -71.51 -6.32 39.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.201 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.75 32.52 15.01 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.5 m -90.24 116.3 28.11 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.854 0.359 . . . . 0.0 110.199 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -78.73 108.71 12.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.71 124.19 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.006 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.5 ' O ' ' SD ' ' A' ' 26' ' ' MET . 11.8 mm -87.91 145.89 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.01 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.8 tpt -71.84 84.29 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.559 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -75.44 -53.96 7.82 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.418 0.628 . . . . 0.0 110.349 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.446 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -75.9 63.48 2.78 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.908 -178.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.6 t-20 -71.0 -4.15 23.28 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.808 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 60' ' ' PHE . 55.6 mt-10 -85.8 48.0 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.384 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 pt -46.01 -15.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.766 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' GLU . 54.5 t80 -49.22 -29.12 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -60.82 -50.01 75.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.2 tt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.196 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptt . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 m -146.76 147.32 30.8 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.897 0.38 . . . . 0.0 110.84 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -140.54 98.11 3.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.072 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.71 95.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.218 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.482 HD13 HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -72.94 161.1 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.068 179.696 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -78.91 -16.0 57.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.462 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -83.01 12.97 4.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.25 -12.72 30.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.1 p -84.71 -179.66 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.292 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -148.87 127.63 12.53 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.282 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.482 HG23 HD13 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -83.82 152.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.393 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.525 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -142.69 117.4 9.83 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.708 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.27 156.73 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 121.059 0.457 . . . . 0.0 110.832 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.96 -163.38 1.04 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.132 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' H ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -77.45 -25.02 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.811 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -81.1 6.56 13.33 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.93 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.38 -14.4 34.86 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 121.2 -0.524 . . . . 0.0 111.988 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -64.07 145.77 55.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.079 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.8 mtt -81.52 -179.75 7.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.828 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.01 132.26 3.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.281 -1.127 . . . . 0.0 110.281 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.498 ' H ' HG22 ' A' ' 59' ' ' ILE . 7.8 tpt -112.62 112.36 23.82 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.792 0.33 . . . . 0.0 111.148 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -145.35 110.12 5.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.988 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -58.48 173.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.885 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -8.18 59.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.905 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -80.22 5.13 15.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.459 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.26 2.91 74.96 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -105.04 122.14 45.26 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.301 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.6 p -59.86 133.94 56.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.0 mmm -108.93 112.46 24.7 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.539 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -73.33 86.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.467 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 41.6 ttm -86.84 123.05 71.12 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.91 135.35 21.16 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.745 1.63 . . . . 0.0 111.981 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -46.78 127.56 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.648 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.05 -20.46 9.8 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -70.89 74.22 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.4 0.619 . . . . 0.0 109.644 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 43' ' ' VAL . 6.5 t -36.63 121.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.565 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 46.2 mtm -104.58 141.06 37.09 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -125.83 122.58 36.53 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.773 0.321 . . . . 0.0 110.886 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.6 p -79.69 162.95 24.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -53.72 -38.24 64.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.349 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -69.42 -4.76 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.87 30.48 35.26 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.2 m -86.7 116.32 24.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.704 0.287 . . . . 0.0 110.378 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -77.77 108.62 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.384 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -126.31 120.49 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.847 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.504 ' O ' ' SD ' ' A' ' 26' ' ' MET . 6.3 mm -84.06 145.53 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.833 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.44 81.19 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.084 0.469 . . . . 0.0 109.801 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -72.04 -76.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.095 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.483 ' H ' ' H ' ' A' ' 26' ' ' MET . . . -59.98 72.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.598 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.524 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 1.7 t-20 -70.79 -4.43 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 109.895 179.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -81.81 67.24 7.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.498 HG22 ' H ' ' A' ' 28' ' ' MET . 30.9 pt -61.66 -12.33 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.715 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.37 -29.17 65.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -55.72 -50.03 71.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.507 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.1 tt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 110.14 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.464 0.264 0 CA-C-O 120.747 0.308 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.8 m -154.19 110.87 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.423 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -107.81 102.47 11.68 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.845 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.41 86.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.078 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.457 HD13 HG23 ' A' ' 18' ' ' VAL . 2.9 mp -57.35 162.5 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.492 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.04 -21.19 47.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.327 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -79.23 14.93 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.69 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.9 -15.58 10.03 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 p -71.56 177.82 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.678 0.275 . . . . 0.0 110.389 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -151.64 122.99 7.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.892 0.377 . . . . 0.0 110.502 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 HD13 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -90.44 148.71 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.32 179.748 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.497 ' NE2' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -142.52 117.4 9.93 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.205 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -83.44 156.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.534 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.79 -170.33 1.74 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.5 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -65.26 -24.86 67.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.638 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.539 ' CG ' HH22 ' A' ' 61' ' ' ARG . 1.4 m-20 -79.08 14.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.625 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.89 3.11 2.24 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 23' ' ' ASP . 87.3 mttt -82.19 145.47 30.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.494 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 10.2 mtt -78.47 178.78 7.48 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.407 0.622 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.429 ' O ' HG13 ' A' ' 18' ' ' VAL . . . -152.48 119.38 0.96 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.557 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.3 tpt -87.69 121.0 29.57 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.963 0.411 . . . . 0.0 111.162 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.475 ' OE2' ' N ' ' A' ' 30' ' ' ASN . 9.9 tp10 -144.25 130.1 19.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.745 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.475 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 37.9 p-10 -79.23 -166.41 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.014 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -80.74 -30.6 36.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.404 ' HB2' HD21 ' A' ' 30' ' ' ASN . 55.1 m-85 -80.17 17.14 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.611 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.45 2.93 17.2 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 52.5 tttp -83.65 126.45 32.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.816 0.341 . . . . 0.0 110.418 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.6 m -65.69 124.49 22.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 48.5 mmm -104.51 112.74 25.93 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.54 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -67.15 88.07 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.303 -179.304 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 46.3 ttm -91.83 125.34 57.58 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.79 135.38 19.42 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.834 1.689 . . . . 0.0 112.065 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -46.25 124.94 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.99 -20.23 7.66 Favored Glycine 0 N--CA 1.467 0.735 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -72.83 80.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.482 0.658 . . . . 0.0 109.748 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 43' ' ' VAL . 5.8 t -41.5 122.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.401 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 61.2 mtm -103.7 151.64 22.75 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -137.15 126.94 25.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.221 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.631 HG23 HD11 ' A' ' 52' ' ' ILE . 22.6 p -74.8 171.12 14.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.823 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -64.37 -30.46 71.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 49' ' ' GLY . 2.8 p30 -73.21 -44.18 60.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.284 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 48' ' ' ASP . . . 128.7 38.08 0.37 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -96.36 129.82 43.61 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -87.07 108.65 18.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.631 HD11 HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -122.6 122.63 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.629 179.056 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' SD ' ' A' ' 26' ' ' MET . 12.8 mm -87.93 144.28 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.069 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.6 tpt -68.51 78.59 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.499 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HB2' ' HZ2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -67.75 -73.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.039 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.494 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -64.19 86.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.902 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.2 t-20 -74.89 -4.05 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.654 179.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 58' ' ' GLU . 25.3 mp0 -83.57 78.44 9.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.043 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.557 HG22 ' H ' ' A' ' 28' ' ' MET . 18.6 pt -71.09 -24.42 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.237 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -49.14 -28.94 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.798 0.332 . . . . 0.0 110.382 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.539 HH22 ' CG ' ' A' ' 23' ' ' ASP . 3.5 tpt180 -56.28 -29.06 60.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.546 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.497 ' CD2' ' NE2' ' A' ' 19' ' ' HIS . 16.2 mt . . . . . 0 C--N 1.332 -0.18 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.633 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.764 0.316 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.55 147.78 28.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.108 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -138.33 102.38 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.883 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -68.34 98.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.725 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.477 HD13 HG23 ' A' ' 18' ' ' VAL . 2.5 mp -70.33 166.7 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.161 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.432 ' C ' ' H ' ' A' ' 15' ' ' GLY . 33.7 mm-40 -78.82 -22.78 45.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.521 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.92 10.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.512 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . 80.83 -10.31 47.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -83.96 -169.15 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.359 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -160.49 132.68 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.441 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.477 HG23 HD13 ' A' ' 12' ' ' LEU . 1.7 t -83.67 151.99 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -143.06 117.32 9.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.18 156.34 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.008 0.433 . . . . 0.0 111.27 -179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -94.86 -166.59 1.49 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.603 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -77.43 -21.52 52.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.516 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.58 -4.63 46.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.738 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.37 -16.32 59.2 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -65.9 144.83 56.55 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.87 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.502 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 8.3 mtt -77.4 -174.29 3.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.035 0.445 . . . . 0.0 110.57 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.59 125.14 1.44 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.462 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.5 tpt -90.26 81.53 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -105.57 104.57 14.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.284 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.2 p30 -71.83 160.27 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.694 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.532 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -74.59 -1.11 20.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.736 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.11 -4.85 56.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.526 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.21 7.27 87.95 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -122.24 122.05 38.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.825 0.345 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.7 m -59.68 129.77 43.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.529 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.5 mmt -101.91 130.37 48.39 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.049 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -82.35 89.08 6.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.203 -179.385 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 41.8 ttm -95.36 124.19 54.28 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.66 149.24 73.41 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.458 1.439 . . . . 0.0 111.941 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.46 103.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.943 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.81 -16.42 2.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -71.56 100.69 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.333 0.587 . . . . 0.0 109.611 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.5 t -49.28 124.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.953 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 58.0 mtm -108.78 132.61 53.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -122.85 123.72 41.63 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.955 0.407 . . . . 0.0 111.514 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.1 p -84.24 162.21 20.24 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.018 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 mtp-105 -59.53 -38.33 80.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.385 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -65.08 -6.8 9.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.088 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.39 34.2 20.68 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.0 m -97.69 116.33 29.69 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.508 ' HZ3' HD11 ' A' ' 53' ' ' ILE . 49.0 tttm -79.69 108.62 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.632 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pt -119.81 149.1 22.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.567 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.508 HD11 ' HZ3' ' A' ' 51' ' ' LYS . 26.2 mm -107.18 145.47 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.5 tpt -70.66 83.72 0.62 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -72.08 -70.63 0.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.607 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.502 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.96 84.45 0.11 Allowed Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.811 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.52 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 2.3 t-20 -76.49 -4.19 41.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -83.32 75.51 9.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 28' ' ' MET . 13.6 pt -73.27 -33.35 40.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.015 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 32.2 p90 -49.22 -28.85 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.623 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 8.2 tpm_? -53.09 -40.43 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.556 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.798 0.333 . . . . 0.0 110.456 179.843 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? . . . . . 0 N--CA 1.464 0.256 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.459 HG21 ' HZ1' ' A' ' 17' ' ' LYS . 40.2 m -154.28 124.5 6.88 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.876 0.369 . . . . 0.0 111.683 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -116.41 91.18 3.51 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -55.06 96.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.835 0.35 . . . . 0.0 110.221 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.536 HD11 ' HB3' ' A' ' 44' ' ' MET . 1.1 mp -63.44 164.9 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.433 ' NE2' ' CD ' ' A' ' 45' ' ' GLU . 3.7 pt20 -78.93 -14.42 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.703 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.63 19.06 14.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.47 -19.4 7.11 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.9 m -63.4 165.91 7.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.691 0.281 . . . . 0.0 110.354 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.523 ' O ' ' CE1' ' A' ' 19' ' ' HIS . 13.4 mtpp -136.46 122.9 20.75 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.495 ' CG2' HD13 ' A' ' 12' ' ' LEU . 2.2 t -87.06 152.16 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.84 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -143.26 116.92 9.22 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.506 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.44 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.9 OUTLIER -107.06 138.64 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.664 -179.48 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CD1' ' NE ' ' A' ' 61' ' ' ARG . 28.9 m-85 -88.6 171.77 9.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.273 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -55.61 -20.4 13.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.66 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 25' ' ' LYS . 3.5 m-20 -77.5 10.11 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.005 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.34 -13.14 1.13 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 23' ' ' ASP . 20.1 mmmt -64.02 145.05 56.57 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 5.5 mtt -88.77 -176.35 5.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.328 0.585 . . . . 0.0 111.129 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.405 ' O ' HG13 ' A' ' 18' ' ' VAL . . . -141.47 -172.89 13.49 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 tpt -170.48 134.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.872 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 33' ' ' GLY . 31.8 tt0 -155.25 115.5 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.547 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.434 ' C ' ' N ' ' A' ' 32' ' ' PHE . 30.9 p30 -63.44 160.27 16.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -15.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.643 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 30' ' ' ASN . 92.4 m-85 -80.28 3.9 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' OE2' ' A' ' 29' ' ' GLU . . . 69.4 2.98 37.08 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -95.49 139.52 31.65 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.508 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -63.6 110.64 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.42 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -87.17 112.69 22.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.496 -179.749 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.507 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -62.01 85.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.373 179.679 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.2 ttm -90.58 124.21 63.16 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.29 139.52 35.25 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.319 1.346 . . . . 0.0 111.73 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.37 100.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.945 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.35 -24.38 0.77 Allowed Glycine 0 CA--C 1.525 0.696 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.306 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -67.35 137.01 55.68 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.151 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.8 t -83.9 124.92 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.899 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.536 ' HB3' HD11 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -99.64 145.91 27.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.01 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' CD ' ' NE2' ' A' ' 13' ' ' GLN . 63.7 tt0 -136.59 122.6 20.2 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.603 -178.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 p -84.07 165.29 18.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.773 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 12' ' ' LEU . 63.8 mtt85 -64.52 -38.37 90.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.199 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.18 -8.01 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.186 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.99 46.28 6.74 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.7 m -111.21 123.75 50.82 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -80.12 128.31 33.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.157 0.503 . . . . 0.0 110.609 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -136.86 139.64 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.059 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.5 ' O ' ' SD ' ' A' ' 26' ' ' MET . 26.0 mm -107.04 141.54 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.401 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 6.9 tpt -63.1 89.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.602 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -80.9 -59.9 2.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.966 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -79.01 87.85 1.17 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.9 t-20 -72.26 -13.93 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.677 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.525 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 48.7 mt-10 -82.65 64.98 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.382 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.22 -11.98 15.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.928 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -48.72 -28.89 3.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.454 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.525 ' NH1' ' O ' ' A' ' 58' ' ' GLU . 21.1 ptt-85 -63.73 -32.52 74.05 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.769 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.997 0.427 . . . . 0.0 109.895 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.2 tptt . . . . . 0 N--CA 1.465 0.283 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 4.3 t -154.72 148.24 25.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.068 0.461 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 9' ' ' THR . 14.4 m-85 -141.59 108.69 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.638 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.65 97.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.8 0.333 . . . . 0.0 110.957 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.34 154.42 41.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.943 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.496 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 20.8 t70 -84.44 12.94 6.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.535 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.07 -23.51 5.97 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 m -81.67 -168.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -162.95 146.62 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.6 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.543 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -103.29 127.65 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.071 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER -117.66 117.28 28.94 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.752 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.45 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -92.73 151.43 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.241 0.543 . . . . 0.0 112.046 -177.39 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -92.63 -165.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -77.39 -16.33 58.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.383 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -78.46 -4.46 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.39 -8.94 65.91 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -75.82 145.76 40.41 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.52 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 36.3 mtt -86.2 -167.97 2.06 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.543 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -178.46 111.92 0.35 Allowed Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 84.4 mmm -58.92 155.69 12.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.031 0.443 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -157.19 103.67 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.835 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 34' ' ' LYS . 34.6 p30 -84.09 153.0 24.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.773 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -62.68 -4.5 2.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.754 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -80.51 13.73 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.655 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.8 12.51 64.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' O ' ' OD1' ' A' ' 30' ' ' ASN . 68.8 mmtt -131.85 175.04 9.54 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.831 0.348 . . . . 0.0 110.272 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.479 ' OG ' ' N ' ' A' ' 36' ' ' MET . 11.3 t -91.05 177.47 6.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.479 ' N ' ' OG ' ' A' ' 35' ' ' SER . 6.5 mmt -142.14 122.68 14.13 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.56 HD22 ' N ' ' A' ' 38' ' ' MET . 1.2 t-20 -64.77 123.76 20.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.593 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.56 ' N ' HD22 ' A' ' 37' ' ' ASN . 38.9 ttm -136.88 121.69 12.68 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.462 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.31 136.77 16.24 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.659 1.573 . . . . 0.0 111.79 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.2 127.57 10.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.21 -24.56 6.94 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -69.92 99.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.327 0.584 . . . . 0.0 109.777 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 t -61.99 124.9 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.0 mtm -106.94 137.1 45.64 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -107.48 122.34 46.44 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.735 0.302 . . . . 0.0 110.945 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.2 p -79.11 165.29 23.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.46 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -54.34 -35.22 62.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.498 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -79.34 -4.07 49.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.429 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.23 31.9 36.84 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.5 m -85.38 132.2 34.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.771 0.319 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -83.44 117.26 22.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.94 0.4 . . . . 0.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -134.04 125.07 47.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.462 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.52 ' O ' ' SD ' ' A' ' 26' ' ' MET . 7.4 mm -91.19 138.32 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.749 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 10.6 tpt -65.98 105.72 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.065 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -96.58 -44.26 7.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.444 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -90.89 75.47 1.61 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.265 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.2 t-20 -70.26 -14.91 62.81 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.616 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 60' ' ' PHE . 50.4 mt-10 -80.05 55.77 2.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.155 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 pt -46.39 -12.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.014 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 58' ' ' GLU . 95.6 m-85 -48.98 -29.04 4.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.65 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -57.75 -50.14 74.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.751 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.1 tp . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.401 . . . . 0.0 110.416 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.741 0.305 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m -154.14 110.82 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.491 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -103.94 110.27 22.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.031 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.16 96.36 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 0.0 111.015 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.486 HD13 HG23 ' A' ' 18' ' ' VAL . 1.3 mp -73.13 161.8 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.038 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -78.96 -17.41 55.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.588 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -81.81 14.06 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.433 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.29 -9.79 25.16 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 p -80.61 -176.83 5.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.773 0.32 . . . . 0.0 110.45 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -152.24 123.26 7.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.212 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.486 HG23 HD13 ' A' ' 12' ' ' LEU . 1.8 t -78.22 153.52 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.669 -0.412 . . . . 0.0 109.934 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -143.04 116.96 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -91.5 156.83 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.976 0.417 . . . . 0.0 110.726 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -102.69 -165.53 1.19 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.341 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -71.73 -26.06 62.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.634 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 25' ' ' LYS . 4.0 m-20 -79.29 11.07 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.54 -11.54 2.27 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 23' ' ' ASP . 34.8 mtmt -64.23 145.59 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 8.1 mtt -80.38 176.46 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.437 0.637 . . . . 0.0 111.107 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.66 124.02 1.65 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.46 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.6 tpt -91.75 78.87 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 111.266 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -99.45 104.56 16.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.26 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.762 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -67.78 160.75 27.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.872 0.368 . . . . 0.0 110.715 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -2.44 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -80.31 13.53 2.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.48 25.19 72.62 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.762 ' H ' HD21 ' A' ' 30' ' ' ASN . 98.4 mttt -139.06 169.23 18.16 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.813 0.339 . . . . 0.0 110.391 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.5 ' OG ' HD12 ' A' ' 59' ' ' ILE . 19.7 t -98.6 124.01 43.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -97.24 112.59 24.33 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.539 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -69.46 87.9 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.514 -179.269 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 39.1 ttm -91.13 125.03 59.94 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.57 134.52 22.45 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.564 1.509 . . . . 0.0 112.018 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.35 131.63 10.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.673 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.02 -21.52 15.58 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -70.34 87.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' H ' HG23 ' A' ' 43' ' ' VAL . 4.8 t -51.26 126.84 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.536 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.5 mtm -109.92 139.7 44.72 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 46' ' ' THR . 8.1 tp10 -123.37 122.71 38.99 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.523 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 27.4 p -80.7 156.2 26.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -58.35 -27.11 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.544 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.37 -4.49 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 109.974 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.27 16.83 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.474 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 21.3 m -111.04 116.2 30.76 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.83 115.1 20.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.459 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pt -126.95 126.21 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.79 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.488 ' O ' ' SD ' ' A' ' 26' ' ' MET . 65.7 mt -88.44 145.41 7.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 tpt -70.76 82.06 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.155 0.503 . . . . 0.0 109.672 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -72.61 -65.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.663 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.48 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -71.17 70.81 0.79 Allowed Glycine 0 CA--C 1.526 0.753 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.823 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.523 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 2.3 t-20 -69.27 -4.56 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.479 -0.488 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -82.17 61.44 5.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.133 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.5 HD12 ' OG ' ' A' ' 35' ' ' SER . 28.6 pt -54.9 -18.97 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.855 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -49.08 -28.71 4.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -52.75 -31.64 39.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--N 1.33 -0.246 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.208 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.5 ' NZ ' ' OH ' ' A' ' 10' ' ' TYR . 17.0 tptp . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -154.11 145.19 22.77 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.913 0.387 . . . . 0.0 111.35 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.5 ' OH ' ' NZ ' ' A' ' 8' ' ' LYS . 46.4 m-85 -141.81 98.31 3.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.741 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.405 ' HB3' ' HE ' ' A' ' 47' ' ' ARG . 1.3 m-20 -59.38 97.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.499 HD13 HG23 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -74.44 158.91 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.871 179.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -78.91 -13.96 59.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.433 ' OD2' HD23 ' A' ' 12' ' ' LEU . 8.0 p30 -84.0 11.36 7.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.58 -13.38 52.49 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 t -87.21 179.93 6.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.349 . . . . 0.0 110.547 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -147.51 128.58 14.59 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.932 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.499 HG23 HD13 ' A' ' 12' ' ' LEU . 1.3 t -81.45 157.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.97 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -142.45 116.89 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.444 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -106.18 142.42 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.094 0.473 . . . . 0.0 111.264 -178.486 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -84.45 -172.98 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.957 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -72.77 -18.66 61.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.392 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -77.64 -0.56 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.162 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.11 -15.99 35.7 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -64.32 145.34 56.19 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.2 mtt -85.66 -177.29 6.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.048 0.452 . . . . 0.0 110.923 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.53 120.7 1.0 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.1 tpt -93.27 88.01 5.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 110.965 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -106.45 110.36 22.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.832 0.349 . . . . 0.0 110.324 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.794 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -71.78 143.05 49.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.518 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -63.13 -2.71 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.283 -179.568 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.666 ' H ' HD22 ' A' ' 30' ' ' ASN . 11.7 t80 -80.64 16.26 1.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.602 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.17 20.12 76.28 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.794 ' H ' HD21 ' A' ' 30' ' ' ASN . 67.4 mttm -139.12 -178.92 5.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.437 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -106.97 169.77 8.35 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.609 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.2 mmt -142.97 112.75 6.96 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.964 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.494 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -65.9 89.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.433 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 32.3 ttm -92.59 116.07 65.87 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.778 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.04 153.06 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.887 1.725 . . . . 0.0 112.196 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -78.48 84.71 4.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.17 -14.02 0.55 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -66.46 80.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.367 0.603 . . . . 0.0 109.606 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.424 HG23 ' H ' ' A' ' 43' ' ' VAL . 17.2 t -39.05 128.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.91 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.1 mtm -111.69 136.62 50.68 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -116.32 122.6 45.37 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.738 0.304 . . . . 0.0 110.961 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.7 p -79.8 160.27 26.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.643 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HE ' ' HB3' ' A' ' 11' ' ' ASP . 13.4 ptp180 -55.01 -31.88 61.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.557 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.3 -4.81 44.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.206 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.19 29.54 37.03 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.7 m -86.79 116.34 24.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -76.65 108.61 9.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -128.7 121.11 54.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.676 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 55' ' ' LYS . 62.5 mt -90.17 138.15 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.233 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.1 tpt -60.29 78.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.791 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 53' ' ' ILE . 11.7 ttmm -71.24 -66.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.568 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -70.19 58.09 0.83 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.393 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.4 t-20 -56.12 -10.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.277 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 56' ' ' GLY . 57.2 mt-10 -78.47 76.89 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.499 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.0 pt -73.02 -12.38 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -57.78 -29.14 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.482 ' CD ' ' N ' ' A' ' 61' ' ' ARG . 9.5 mpt_? -59.0 -50.05 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.427 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.183 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 3' ' ' MET . 5.5 t . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 50.17 10.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.473 ' H ' ' C ' ' A' ' 1' ' ' VAL . 14.5 tpt -63.42 -36.6 84.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.6 m -58.22 -36.17 72.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.561 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -63.71 -46.14 86.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.529 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.56 135.2 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 p -166.06 139.34 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -158.82 131.62 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.352 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 m -154.21 110.98 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -102.94 109.81 21.5 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.942 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -61.26 96.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 111.072 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 mp -69.68 159.7 32.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.941 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -76.63 -18.01 58.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.429 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -82.44 15.26 2.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.05 -21.48 5.74 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -79.38 -172.32 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.489 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -162.91 123.72 2.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.43 HG23 ' H ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -73.75 156.19 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -140.97 117.15 10.62 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.88 156.38 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 121.171 0.51 . . . . 0.0 111.349 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -100.12 -162.96 0.99 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.152 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -73.22 -30.22 63.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.71 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.485 ' C ' ' H ' ' A' ' 25' ' ' LYS . 40.9 t0 -77.65 15.67 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.089 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.59 -10.99 1.28 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 23' ' ' ASP . 35.5 mmtm -63.95 145.57 55.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 10.7 mtt -81.21 177.4 9.04 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.096 0.474 . . . . 0.0 111.152 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.1 110.23 0.44 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.0 tpt -79.71 87.45 5.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.996 0.426 . . . . 0.0 111.112 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -108.47 112.82 25.42 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.138 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.805 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -71.88 148.11 46.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.886 0.374 . . . . 0.0 110.661 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.478 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -66.11 -4.99 8.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.208 -179.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.704 ' H ' HD22 ' A' ' 30' ' ' ASN . 15.0 t80 -80.46 18.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 110.701 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.56 24.47 72.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.805 ' H ' HD21 ' A' ' 30' ' ' ASN . 93.8 mttt -139.14 176.75 8.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.761 0.315 . . . . 0.0 110.285 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.0 m -107.58 156.96 18.46 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.64 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 64.6 mmm -135.67 112.77 10.41 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.733 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.569 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -67.69 92.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.061 -179.519 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.475 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 15.1 ttm -90.8 127.9 50.33 Favored Pre-proline 0 CA--C 1.542 0.671 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.55 129.96 18.75 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.436 1.424 . . . . 0.0 112.102 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' OE2' ' N ' ' A' ' 41' ' ' GLY . 4.1 tm-20 -43.77 137.27 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.917 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.466 ' N ' ' OE2' ' A' ' 40' ' ' GLU . . . 99.68 -14.8 60.3 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.781 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -69.14 81.68 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.541 0.686 . . . . 0.0 109.551 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 43' ' ' VAL . 14.6 t -40.96 123.59 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.683 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.7 mtm -107.05 137.96 44.14 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -118.84 122.69 42.95 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.818 0.342 . . . . 0.0 111.054 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 p -75.61 169.57 17.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.604 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -61.87 -37.32 84.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.291 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -72.53 -6.32 43.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.395 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.07 31.72 22.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 m -88.43 116.4 26.63 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.857 0.36 . . . . 0.0 110.145 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -75.34 114.53 13.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 pt -134.27 117.9 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.561 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.495 ' O ' ' SD ' ' A' ' 26' ' ' MET . 67.8 mt -86.32 142.47 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.01 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 tpt -65.58 82.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.668 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.469 ' HZ2' ' HA ' ' A' ' 25' ' ' LYS . 25.2 ttpp -68.28 -67.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.195 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.449 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -74.61 77.59 1.07 Allowed Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.816 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -70.89 -8.4 52.57 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.8 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -77.91 76.71 4.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.235 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.9 pt -70.93 -12.24 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.723 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -51.0 -28.99 11.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -52.94 -47.92 67.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.699 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 tp -50.67 -51.04 53.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.091 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -62.23 92.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 53.44 -171.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.585 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.71 164.3 10.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.608 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -84.98 -2.04 57.48 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.226 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 57.26 75.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -64.33 177.32 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 70' ' ' HIS . . . -67.24 0.11 9.16 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 69' ' ' GLY . 32.5 p80 42.25 30.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 75.2 m -167.33 -84.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -66.16 151.18 47.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.542 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.04 47.04 93.23 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.963 -1.465 . . . . 0.0 110.857 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -155.07 -72.98 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.4 mtt -61.79 -51.7 67.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 6' ' ' VAL . 50.0 m -70.72 -52.06 23.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.575 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 54.64 7.38 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.559 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 4' ' ' SER . 12.1 p -68.9 137.48 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 p -172.73 146.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -98.93 146.37 26.07 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 m -154.19 110.93 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.766 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -103.4 115.38 30.43 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.929 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -73.01 93.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.499 HD13 HG23 ' A' ' 18' ' ' VAL . 1.6 mp -69.51 160.39 31.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.221 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -78.9 -17.2 55.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.516 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -82.5 15.35 2.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.79 -12.12 12.15 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 m -77.82 -178.27 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.499 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -152.01 123.53 7.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.099 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.499 HG23 HD13 ' A' ' 12' ' ' LEU . 1.9 t -78.7 152.88 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.993 0.425 . . . . 0.0 110.03 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -142.94 117.08 9.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 26' ' ' MET . 1.0 OUTLIER -96.27 147.43 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 120.994 0.426 . . . . 0.0 111.067 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -86.93 -166.43 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.613 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -77.4 -20.95 53.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -77.61 -0.02 24.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.461 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.94 -15.79 41.16 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -64.25 144.53 57.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.465 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 6.4 mtt -78.07 -173.7 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.055 0.455 . . . . 0.0 110.337 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.33 122.07 1.08 Allowed Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 tpt -87.76 80.69 7.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.784 0.326 . . . . 0.0 110.97 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -106.88 111.56 24.12 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.374 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 32' ' ' PHE . 14.4 p30 -71.52 163.24 28.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.706 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.584 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -85.3 1.46 48.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.704 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.499 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 9.7 t80 -80.44 8.34 7.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.677 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.52 14.48 78.18 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' O ' ' ND2' ' A' ' 30' ' ' ASN . 9.8 mtpm? -138.89 -179.76 6.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.736 0.303 . . . . 0.0 110.2 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.5 m -106.34 170.79 7.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.003 0.43 . . . . 0.0 110.804 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.428 ' HG2' HD22 ' A' ' 30' ' ' ASN . 13.9 mmt -142.21 113.54 7.7 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.674 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -68.56 94.92 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.37 -179.162 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 44.3 ttm -102.99 125.35 35.57 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.34 158.33 54.63 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 121.54 1.493 . . . . 0.0 111.966 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -70.28 107.98 3.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.92 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.75 -19.09 2.76 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -72.4 76.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.3 t -41.48 124.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.103 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 30.9 mtm -106.34 137.95 43.4 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -116.4 122.73 45.69 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.832 0.348 . . . . 0.0 110.843 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.2 p -80.73 160.35 24.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.725 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 12' ' ' LEU . 68.5 mtt85 -54.01 -38.2 64.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.458 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -68.96 -5.83 23.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.347 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.8 32.39 30.03 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.7 m -93.24 116.44 29.01 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.697 0.284 . . . . 0.0 110.411 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -76.71 116.69 17.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.502 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 pt -132.85 124.62 50.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.629 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.8 mt -86.84 145.39 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.759 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 tpt -69.22 82.34 0.35 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -72.73 -70.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.107 0.479 . . . . 0.0 110.503 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.47 77.35 0.13 Allowed Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.435 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.3 t-20 -74.78 -4.27 36.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.414 . . . . 0.0 110.19 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -83.84 70.92 10.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 13.9 pt -67.32 -22.4 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.62 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -53.62 -29.09 36.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -53.87 -41.17 67.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.651 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 64' ' ' GLU . 9.9 tp -50.59 -51.0 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.525 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 55.12 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 62' ' ' LEU . 33.2 mt-10 -152.23 -6.13 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.94 14.34 0.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.628 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.493 HD23 ' C ' ' A' ' 66' ' ' LEU . 2.1 tt -68.82 -66.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -77.62 -49.94 13.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.625 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -52.98 -28.04 21.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.591 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.5 -50.46 64.9 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -177.18 -178.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.338 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.9 m 56.15 170.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.55 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' GLY . 29.0 tp10 55.64 77.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.467 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.06 80.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.006 -1.441 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -155.08 -59.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 74.6 mtp -62.55 -37.15 85.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.611 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.3 m -57.03 -39.24 74.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.547 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -168.15 94.62 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.7 m -62.27 140.05 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 8' ' ' LYS . 33.4 m -71.85 -39.29 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.737 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' N ' HG23 ' A' ' 7' ' ' VAL . 5.6 tppt? -163.08 133.49 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.581 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.5 m -154.29 111.02 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.813 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -102.35 119.51 38.94 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -70.67 97.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.003 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.51 153.0 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.17 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -79.02 -9.25 59.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.198 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -83.86 7.61 17.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.298 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.36 -19.56 39.04 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.5 m -90.8 -166.76 1.65 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.761 0.315 . . . . 0.0 110.536 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -162.82 137.06 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.266 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -86.65 157.67 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.76 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -142.31 117.21 9.91 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.79 152.05 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.906 0.384 . . . . 0.0 110.96 -178.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -92.34 -167.03 1.67 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.207 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.32 -14.67 59.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.555 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.48 0.45 52.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.759 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.13 -17.74 35.84 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -64.21 145.87 55.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.502 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.9 mtt -80.08 -178.54 6.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.418 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -158.78 109.54 0.41 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.405 ' H ' HG22 ' A' ' 59' ' ' ILE . 11.4 tpt -81.68 89.19 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 111.212 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -103.85 104.49 14.49 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.196 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.746 ' ND2' ' H ' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -70.8 138.53 50.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.646 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -55.89 -2.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 30' ' ' ASN . 7.9 t80 -80.31 4.65 17.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.824 0.345 . . . . 0.0 110.551 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.3 25.34 68.66 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.746 ' H ' ' ND2' ' A' ' 30' ' ' ASN . 51.5 mtpt -139.21 166.21 25.13 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.489 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 m -93.54 121.56 35.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.367 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.467 ' SD ' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -93.38 124.72 37.56 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.215 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.509 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -78.37 88.48 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.541 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.0 ttm -93.02 114.48 62.8 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.197 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -47.3 147.22 6.03 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.709 1.606 . . . . 0.0 111.662 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 40' ' ' GLU . 6.5 pt-20 -70.32 114.85 8.86 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.935 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . 124.29 -17.7 7.44 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -64.75 77.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.536 0.684 . . . . 0.0 109.516 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 41' ' ' GLY . 12.9 t -39.69 129.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.866 -179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.8 mtm -111.58 139.06 47.33 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -111.23 122.77 48.74 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.944 0.402 . . . . 0.0 111.297 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.7 p -80.2 173.97 12.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.598 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.57 -38.25 83.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.184 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -73.22 -2.83 23.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.433 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.4 35.87 25.14 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.9 m -91.55 124.38 35.67 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.297 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -82.27 108.61 15.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.437 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.85 123.42 65.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.593 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' A' ' 55' ' ' LYS . 50.4 mt -91.53 133.08 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.5 tpt -58.67 80.18 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 53' ' ' ILE . 33.0 ttpt -70.84 -66.69 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.514 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -67.41 62.13 0.27 Allowed Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.553 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.3 t-20 -64.51 -4.16 3.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.01 0.433 . . . . 0.0 109.883 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 60' ' ' PHE . 17.4 pt-20 -85.01 54.15 2.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.351 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 28' ' ' MET . 13.7 pt -46.48 -13.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.758 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 58' ' ' GLU . 90.4 m-85 -49.09 -29.08 4.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.547 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -53.02 -50.08 64.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.76 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -62.88 -51.21 67.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.141 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -59.94 153.45 21.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.578 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 54.38 -164.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.58 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -173.55 113.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.559 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.2 mp -72.24 -72.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -62.92 -176.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.62 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -59.06 -68.9 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.13 -86.75 0.08 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -168.08 -176.11 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.767 0.318 . . . . 0.0 110.614 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.2 m 56.29 24.16 7.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.461 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.6 -179.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.587 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.51 -151.13 9.54 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.78 0 CA-C-O 117.993 -1.449 . . . . 0.0 110.922 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.02 128.97 9.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.5 mtp -76.32 -51.79 11.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.8 m -82.4 -52.81 6.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.522 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.522 ' OD1' ' N ' ' A' ' 5' ' ' ASN . 6.6 p-10 -176.55 -59.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.23 141.04 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 8' ' ' LYS . 34.8 m -57.58 -40.51 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.653 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' N ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -172.49 142.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 m -154.3 110.7 3.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.945 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -103.02 121.84 43.39 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.13 97.41 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.357 . . . . 0.0 111.367 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -68.42 163.17 23.86 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.9 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -78.73 -18.5 54.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.51 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -83.94 16.84 2.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.438 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.26 -11.15 9.08 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -75.15 -179.0 4.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.544 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -151.77 124.7 8.57 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.197 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -84.26 155.72 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -142.98 117.54 9.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -97.51 151.66 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.024 0.44 . . . . 0.0 110.986 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -93.7 -174.46 3.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.953 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -70.51 -20.6 62.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.438 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -77.67 -0.43 26.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.121 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.13 -14.52 43.94 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -65.77 145.5 55.91 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.483 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 2.1 mtm -80.0 -172.38 3.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.06 0.457 . . . . 0.0 110.613 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.413 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -164.16 120.7 0.96 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.405 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.5 tpt -87.76 87.04 7.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 110.854 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.433 ' OE2' HD23 ' A' ' 62' ' ' LEU . 31.3 mt-10 -107.31 104.64 14.29 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.332 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.815 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -66.52 179.78 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.6 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -10.69 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.056 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.25 11.56 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.91 2.89 40.75 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.815 ' H ' HD21 ' A' ' 30' ' ' ASN . 67.2 mmtt -102.2 -177.91 3.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.771 0.319 . . . . 0.0 110.341 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -116.96 120.38 38.22 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.391 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.2 mmt -91.13 115.83 28.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.346 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.491 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -65.86 92.09 0.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.447 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 34.2 ttm -98.31 116.63 65.48 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.963 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.3 155.29 0.41 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.799 1.666 . . . . 0.0 112.139 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -79.74 87.31 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.353 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.45 -9.97 0.6 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -73.17 79.52 1.27 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.511 0.672 . . . . 0.0 109.868 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 43' ' ' VAL . 5.8 t -36.87 129.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.876 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.8 mtm -114.13 134.35 54.95 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -114.46 122.86 47.91 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.815 0.34 . . . . 0.0 111.237 -178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.3 p -77.37 170.63 16.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.673 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -65.65 -38.24 88.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.47 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.6 -1.89 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.19 40.74 13.06 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -100.37 120.34 39.8 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.782 0.325 . . . . 0.0 110.232 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -81.26 108.59 15.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.037 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 pt -125.77 125.53 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.0 mm -89.45 145.6 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 -179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.6 tpt -69.36 77.78 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -71.73 -62.72 1.31 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.144 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.483 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -70.41 48.43 0.73 Allowed Glycine 0 CA--C 1.526 0.764 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.665 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -53.36 -12.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.185 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' C ' ' N ' ' A' ' 60' ' ' PHE . 17.9 mm-40 -78.9 52.7 1.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.626 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 28' ' ' MET . 23.5 pt -49.36 -12.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.676 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.468 ' N ' ' C ' ' A' ' 58' ' ' GLU . 59.7 t80 -49.09 -29.1 4.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.758 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' O ' ' OE2' ' A' ' 64' ' ' GLU . 13.9 tpp85 -53.94 -50.29 66.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.952 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -65.42 -51.46 60.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.243 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 63' ' ' ASP . 4.8 p-10 -87.04 100.19 12.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.583 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 61' ' ' ARG . 20.6 pt-20 -172.11 -39.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.502 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.77 -147.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 pp -174.77 -17.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.754 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -79.32 -53.16 7.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.5 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -152.98 178.05 10.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.447 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.79 -20.73 70.22 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -164.26 -162.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.591 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.7 m 58.68 76.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -170.09 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.89 92.29 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.032 -1.427 . . . . 0.0 110.963 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.79 HG13 ' H ' ' A' ' 2' ' ' ASP . 2.6 p . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.79 ' H ' HG13 ' A' ' 1' ' ' VAL . 0.4 OUTLIER 60.06 135.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.424 ' O ' ' OD1' ' A' ' 5' ' ' ASN . 64.3 mtt -78.79 -51.79 9.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.7 p -46.25 -27.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 3' ' ' MET . 30.9 m120 55.4 41.88 30.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.632 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -57.25 157.09 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.486 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.5 m -151.75 155.73 6.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.968 0.413 . . . . 0.0 110.597 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -163.71 143.85 8.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.267 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.5 m -154.19 110.74 3.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 110.764 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -101.36 105.51 16.57 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.584 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.47 ' OD2' ' NZ ' ' A' ' 17' ' ' LYS . 1.1 m-20 -67.65 85.52 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.0 0.429 . . . . 0.0 111.257 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 HG23 ' A' ' 18' ' ' VAL . 2.2 mp -58.44 160.33 5.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.057 179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -77.72 -18.96 56.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.549 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -80.39 12.71 2.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.517 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.59 -12.79 26.13 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 p -74.77 -178.55 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.499 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' NZ ' ' OD2' ' A' ' 11' ' ' ASP . 66.7 mttm -151.54 122.81 7.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.476 HG23 HD13 ' A' ' 12' ' ' LEU . 2.0 t -81.08 155.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.137 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -143.01 116.98 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.33 156.37 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 120.969 0.414 . . . . 0.0 110.703 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -99.63 -162.01 0.92 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.456 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -75.03 -29.93 60.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.723 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 25' ' ' LYS . 38.1 t0 -77.7 16.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.79 -9.13 1.47 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 23' ' ' ASP . 41.7 mmtt -64.21 145.37 56.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.539 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 7.2 mtt -80.59 178.4 8.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.348 0.594 . . . . 0.0 111.231 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.51 125.86 1.84 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.3 tpt -93.09 83.82 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 111.821 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' A' ' 17' ' ' LYS . 69.6 tt0 -110.25 109.07 19.4 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.75 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.855 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -59.68 -166.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.795 -179.266 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -81.46 -25.77 35.8 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.323 -179.617 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.518 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 39.3 t80 -84.67 18.61 2.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.798 0.332 . . . . 0.0 110.677 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.32 2.66 15.39 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.855 ' H ' HD21 ' A' ' 30' ' ' ASN . 9.8 ttmm -81.83 133.04 35.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.368 . . . . 0.0 110.292 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.637 ' OG ' HD12 ' A' ' 59' ' ' ILE . 5.3 t -82.51 112.3 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.9 mtp -93.57 112.73 24.68 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.867 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.557 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -64.68 92.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.645 -179.079 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.4 ttm -98.66 126.25 39.69 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.96 157.88 58.55 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.549 1.499 . . . . 0.0 112.082 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -71.37 100.34 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.829 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.73 -19.5 1.13 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -72.3 84.36 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.446 0.641 . . . . 0.0 109.764 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 43' ' ' VAL . 4.4 t -44.71 123.58 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.207 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.1 mtm -103.18 153.39 20.39 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -136.93 126.43 25.15 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.999 0.428 . . . . 0.0 111.502 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.586 HG23 HD11 ' A' ' 52' ' ' ILE . 13.5 p -74.99 165.74 24.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.707 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.452 ' NH1' ' OD1' ' A' ' 48' ' ' ASP . 39.9 ptt85 -53.95 -38.2 64.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.336 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.452 ' OD1' ' NH1' ' A' ' 47' ' ' ARG . 61.1 m-20 -68.63 -44.73 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.306 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 127.32 34.05 0.59 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 m -84.84 135.6 34.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.33 . . . . 0.0 110.199 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -88.18 108.65 19.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.586 HD11 HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -128.11 118.69 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.715 179.332 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' LYS . 12.2 mm -85.55 145.34 8.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.194 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.4 tpt -66.19 75.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 53' ' ' ILE . 3.1 tppp? -63.31 -74.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.03 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.539 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.18 77.34 0.12 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.088 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -69.95 -4.09 19.06 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -82.7 74.52 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.244 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.637 HD12 ' OG ' ' A' ' 35' ' ' SER . 13.0 pt -73.21 -31.03 32.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.318 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 30.3 p90 -49.15 -29.09 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.618 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.427 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 9.2 tpt180 -53.45 -36.22 61.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.28 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.6 -51.23 50.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 24.4 p-10 -173.6 -115.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.663 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.465 ' H ' ' CG ' ' A' ' 63' ' ' ASP . 5.6 pt-20 32.58 97.25 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.514 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 67' ' ' ARG . . . 58.62 17.27 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.475 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 tp 55.21 -80.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.673 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 65' ' ' ALA . 80.0 mtt180 59.02 86.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.495 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.9 tptt 58.83 110.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.458 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.471 ' C ' ' N ' ' A' ' 71' ' ' SER . . . 164.52 140.71 2.94 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.655 ' ND1' HG12 ' A' ' 1' ' ' VAL . 87.3 m-70 50.17 11.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 0.0 110.602 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.471 ' N ' ' C ' ' A' ' 69' ' ' GLY . 85.4 p -73.29 40.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.585 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' A' ' 70' ' ' HIS . 75.0 mt-10 -55.43 86.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 177.67 150.22 8.39 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.672 0 CA-C-O 117.998 -1.445 . . . . 0.0 110.938 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 5.3 p-10 -175.48 -7.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.462 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -59.43 -31.93 69.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.598 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 t -71.08 -39.6 72.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -73.29 125.03 26.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.615 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.3 t -73.19 130.04 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 p -66.41 151.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HZ2' HG11 ' A' ' 20' ' ' VAL . 2.4 tppp? -99.05 143.11 29.7 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.46 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.2 m -154.19 111.09 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.772 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.41 105.55 15.53 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.1 85.36 0.73 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.87 0.367 . . . . 0.0 110.998 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD13 HG23 ' A' ' 18' ' ' VAL . 1.9 mp -56.63 161.87 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.723 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -79.0 -19.41 51.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.54 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -78.44 13.93 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.44 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.57 -7.18 20.43 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.5 p -74.7 -168.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.786 0.327 . . . . 0.0 110.432 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -160.4 122.65 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.24 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 27' ' ' GLY . 1.4 t -95.41 149.14 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 119.16 11.09 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG11 ' HZ2' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -85.7 156.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.033 0.444 . . . . 0.0 111.108 -178.557 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -99.4 -164.16 1.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.372 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -74.83 -24.28 58.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -80.12 12.52 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.609 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.9 -11.48 1.9 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 23' ' ' ASP . 36.1 mtmt -66.28 146.03 55.07 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 8.3 mtt -80.23 -171.22 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.496 ' O ' HG13 ' A' ' 18' ' ' VAL . . . -156.62 112.41 0.52 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.498 ' H ' HG22 ' A' ' 59' ' ' ILE . 9.9 tpt -84.32 109.35 17.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 111.2 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -135.71 126.04 26.56 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.271 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -83.65 172.89 11.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.683 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' H ' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -85.35 -7.15 59.11 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.056 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -80.62 -4.45 54.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.7 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.48 27.29 39.8 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -139.12 122.16 16.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.413 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 m -55.6 142.91 31.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.6 mtp -117.15 112.78 21.33 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -67.34 88.57 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.148 -179.516 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 42.7 ttm -91.49 125.54 57.49 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.38 136.02 25.61 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.672 1.581 . . . . 0.0 112.002 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.22 127.37 10.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.807 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.34 -21.12 10.14 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm -71.31 91.68 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.368 0.604 . . . . 0.0 109.51 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -57.0 125.03 12.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.17 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.4 mtm -107.24 153.94 21.96 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -136.51 131.23 33.66 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.909 0.385 . . . . 0.0 111.384 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.403 HG23 ' CD1' ' A' ' 52' ' ' ILE . 2.4 p -86.0 172.42 10.67 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.625 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -66.01 -38.23 87.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.225 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -65.8 -10.62 39.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.064 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.9 46.25 6.03 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.2 m -109.94 136.97 48.38 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HZ1' HD11 ' A' ' 53' ' ' ILE . 46.9 tttm -90.67 129.18 36.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.403 ' CD1' HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -137.71 123.03 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.71 179.287 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.496 ' O ' ' SD ' ' A' ' 26' ' ' MET . 13.8 mt -90.78 135.74 25.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.989 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.3 tpt -64.65 79.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.161 0.505 . . . . 0.0 110.36 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ILE . 89.8 mttt -73.57 -50.61 20.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.726 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.432 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -82.21 81.53 1.68 Allowed Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.115 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.1 t-20 -78.59 -4.0 46.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -87.3 51.18 2.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.498 HG22 ' H ' ' A' ' 28' ' ' MET . 19.3 pt -45.98 -24.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.734 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -50.0 -28.7 7.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -53.0 -50.27 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.7 tp -50.5 -51.08 50.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.901 0.381 . . . . 0.0 110.154 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 64' ' ' GLU . 27.5 t70 52.44 -106.13 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' N ' ' OD2' ' A' ' 63' ' ' ASP . 69.4 tt0 -172.48 75.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.586 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -172.3 146.65 1.87 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.57 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.596 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.2 mp -72.21 -28.78 63.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.318 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -166.99 -170.4 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.501 ' NZ ' ' CB ' ' A' ' 68' ' ' LYS . 2.6 ttmp? -170.18 -29.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.1 121.13 0.73 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -59.73 -76.23 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.835 0.35 . . . . 0.0 110.545 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 73' ' ' GLY . 43.7 t -61.72 106.72 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.584 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 54.43 -83.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.573 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 71' ' ' SER . . . 64.84 -79.57 0.06 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.82 0 CA-C-O 118.004 -1.442 . . . . 0.0 110.952 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 72.4 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 5.0 p-10 -177.34 -172.17 0.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.503 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -52.28 -29.84 25.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.7 m -74.87 -45.58 42.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 52.35 56.64 7.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.457 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.2 t -63.65 118.79 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.705 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.5 m -152.81 -174.88 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.308 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -99.09 150.33 22.13 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.475 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 t -149.28 148.1 29.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.565 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.519 ' O ' ' N ' ' A' ' 12' ' ' LEU . 41.4 m-85 -137.63 96.08 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.944 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.98 87.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.883 0.373 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.1 tp -67.66 152.54 45.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.36 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.607 HE21 ' N ' ' A' ' 14' ' ' ASP . 1.6 pp0? -79.14 -6.65 57.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.351 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.607 ' N ' HE21 ' A' ' 13' ' ' GLN . 21.9 t70 -92.02 9.72 32.05 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.367 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.8 -16.49 31.43 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -83.55 -172.69 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.721 0.296 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -155.96 129.51 8.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.575 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.474 HG23 HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -92.65 140.64 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.227 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.585 ' CE1' ' CZ ' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -133.91 120.48 20.42 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.25 156.44 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-O 121.147 0.498 . . . . 0.0 111.499 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.585 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 86.5 m-85 -100.43 -163.69 1.05 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.554 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -77.37 -17.75 57.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.335 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -78.49 -4.21 47.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 -4.45 78.0 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -80.8 145.81 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 17.5 mtt -77.99 -175.19 3.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.108 0.48 . . . . 0.0 110.806 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.57 112.28 0.51 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.492 ' H ' HG22 ' A' ' 59' ' ' ILE . 11.5 tpt -77.69 140.76 39.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.039 0.447 . . . . 0.0 111.311 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -156.81 116.02 3.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.128 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.848 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -71.19 158.77 35.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.933 0.397 . . . . 0.0 110.854 -179.589 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 pptp? -47.31 -21.81 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.233 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -80.31 11.13 3.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.76 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.35 2.74 15.91 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.848 ' H ' HD21 ' A' ' 30' ' ' ASN . 61.5 tttp -88.44 143.18 27.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.83 0.348 . . . . 0.0 110.552 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 m -81.01 119.93 24.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.6 mmt -106.52 137.01 45.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.06 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.509 ' ND2' HD21 ' A' ' 57' ' ' ASN . 0.7 OUTLIER -79.24 93.19 5.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.008 -179.588 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.1 ttm -91.67 114.48 62.03 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -48.31 140.46 20.41 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.665 1.577 . . . . 0.0 111.93 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -61.67 126.19 26.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.957 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 43' ' ' VAL . . . 110.31 -16.01 29.88 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -66.86 72.15 0.09 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.588 0.709 . . . . 0.0 109.316 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' GLY . 20.0 t -35.83 129.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.557 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.424 ' HB3' HD11 ' A' ' 12' ' ' LEU . 27.4 mtm -113.34 147.04 38.45 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -129.22 122.84 30.54 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.915 0.388 . . . . 0.0 111.078 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 p -81.52 167.32 19.45 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.3 mtt85 -53.76 -38.41 64.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.504 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -71.54 0.79 7.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.282 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.6 37.66 61.85 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.5 m -88.94 118.11 28.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.725 0.298 . . . . 0.0 110.401 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -76.5 108.69 9.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 pt -128.32 122.81 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.559 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 55' ' ' LYS . 59.7 mt -91.6 135.84 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.319 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 tpt -60.98 80.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 53' ' ' ILE . 34.0 ttmt -73.23 -63.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.648 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 58' ' ' GLU . . . -68.41 60.33 0.44 Allowed Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.619 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.8 t-20 -60.4 -4.28 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.779 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 60' ' ' PHE . 54.9 mt-10 -85.84 55.09 3.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.329 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.492 HG22 ' H ' ' A' ' 28' ' ' MET . 11.5 pt -47.6 -12.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' GLU . 42.2 t80 -48.71 -28.92 3.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.741 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -59.46 -50.25 74.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.531 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.4 tt -57.2 -51.17 70.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.963 0.411 . . . . 0.0 110.049 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -47.86 -41.97 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.542 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.56 137.74 56.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.553 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.42 146.41 40.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.623 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.595 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.3 mp -68.56 -85.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.357 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 69' ' ' GLY . 56.9 mtp180 50.68 -142.8 0.65 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.534 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt 61.72 -0.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.427 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 67' ' ' ARG . . . 75.82 158.18 7.39 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.579 ' CG ' ' H ' ' A' ' 71' ' ' SER . 68.1 t60 -68.4 177.24 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.573 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.579 ' H ' ' CG ' ' A' ' 70' ' ' HIS . 51.6 p 53.62 -171.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' N ' ' CD ' ' A' ' 72' ' ' GLU . 1.4 pm0 -168.33 155.43 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 179.79 54.71 0.08 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.754 0 CA-C-O 117.899 -1.501 . . . . 0.0 110.896 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 1' ' ' VAL . 6.4 p . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 1.2 p-10 -176.73 -20.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.406 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 3' ' ' MET . 1.8 tmt? -70.44 -51.73 27.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.447 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 6' ' ' VAL . 52.0 m -69.0 -29.2 67.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 3' ' ' MET . 59.4 m-80 55.73 8.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.627 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.411 ' H ' ' C ' ' A' ' 4' ' ' SER . 13.3 p -68.28 145.58 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.56 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.9 m -153.17 155.72 6.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.456 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HZ3' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -98.92 139.67 34.24 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 1.1 p -149.84 147.87 28.49 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.273 0.559 . . . . 0.0 110.908 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CD1' ' O ' ' A' ' 9' ' ' THR . 26.9 m-85 -143.67 97.62 3.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.574 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 47' ' ' ARG . 11.9 m-20 -49.9 96.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.404 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 HD13 ' CG2' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -70.4 144.1 51.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.995 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -65.89 -10.31 37.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.23 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -90.36 12.62 17.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.464 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.89 -18.25 7.91 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.5 p -76.27 -178.01 4.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 110.535 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 29' ' ' GLU . 36.0 mtpt -149.95 125.3 10.16 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.236 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.417 ' CG2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -84.78 154.31 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -142.8 117.35 9.74 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.46 HG22 ' HZ3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -96.06 143.11 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 -178.52 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -81.47 -169.01 2.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.741 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -77.24 -19.79 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.477 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.54 1.19 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.392 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.56 -16.27 36.46 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -64.24 145.34 56.16 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.477 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 1.9 mtm -79.9 -176.94 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.655 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.83 118.06 0.81 Allowed Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 tpt -83.08 85.92 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 111.301 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 17' ' ' LYS . 47.5 tt0 -108.75 104.43 13.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.207 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 30' ' ' ASN . 49.8 p30 -72.0 155.02 40.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.354 . . . . 0.0 110.66 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.29 -5.17 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.955 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -80.45 -4.68 54.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.69 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.57 24.67 60.17 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -139.1 122.11 16.74 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.383 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.5 p -61.04 121.88 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.687 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.2 mtt -94.67 114.66 26.62 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.096 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.489 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -62.07 97.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.442 -179.38 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.516 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 41.8 ttm -107.4 125.65 31.87 Favored Pre-proline 0 CA--C 1.538 0.519 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.8 162.16 42.84 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.68 1.587 . . . . 0.0 112.053 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -73.6 111.0 8.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.959 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.88 -16.85 3.69 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -74.4 72.0 1.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.261 0.553 . . . . 0.0 109.516 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.444 ' H ' HG23 ' A' ' 43' ' ' VAL . 7.0 t -37.92 123.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.131 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 32.9 mtm -105.47 137.32 43.49 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -106.71 122.48 46.45 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.43 ' OG1' ' OD1' ' A' ' 48' ' ' ASP . 17.6 p -73.45 178.5 4.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.697 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 11' ' ' ASP . 73.6 ttt180 -73.73 -37.95 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.378 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.43 ' OD1' ' OG1' ' A' ' 46' ' ' THR . 7.8 p30 -72.25 -10.16 59.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.93 40.82 5.78 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.1 m -103.03 145.44 29.89 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -94.26 121.4 35.73 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.007 0.432 . . . . 0.0 110.942 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -137.71 117.65 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.707 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.709 ' N ' HD12 ' A' ' 53' ' ' ILE . 1.4 mp -82.24 145.34 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.428 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.8 tpt -68.06 76.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -67.09 -69.27 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.159 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.477 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -67.14 61.31 0.23 Allowed Glycine 0 CA--C 1.526 0.726 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.878 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.1 t-20 -60.64 -9.89 4.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.135 0.493 . . . . 0.0 109.709 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.11 73.08 8.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.462 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.1 pt -70.58 -12.3 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -49.92 -29.67 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.687 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.498 ' CD ' ' N ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -62.65 -48.15 80.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -50.48 -51.14 49.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.09 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -51.97 139.57 22.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.473 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -49.45 108.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -174.73 -85.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.619 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.607 HD22 ' N ' ' A' ' 66' ' ' LEU . 3.3 mm? -74.25 95.62 2.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -172.51 92.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.517 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -172.15 79.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.56 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.2 104.43 0.17 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -62.7 -73.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.738 0.304 . . . . 0.0 110.526 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.8 m -63.4 104.0 0.57 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.49 168.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.576 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.32 -166.91 0.4 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.758 0 CA-C-O 117.998 -1.445 . . . . 0.0 110.979 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 0.5 OUTLIER 57.52 77.45 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.665 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.2 tpt -78.17 -46.13 21.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.634 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.3 m -70.52 -49.85 43.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 2' ' ' ASP . 14.5 m120 58.05 77.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.645 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.64 105.99 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.512 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . 33.0 m -79.64 172.27 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.675 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -158.2 149.35 20.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.393 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.9 m -152.75 110.86 3.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -109.29 99.0 8.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.191 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.14 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -73.08 163.45 28.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.43 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -79.1 -17.63 54.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.53 11.73 3.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.552 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.07 -11.55 42.04 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.0 p -87.49 178.88 6.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.752 0.31 . . . . 0.0 110.281 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -146.37 127.59 14.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.469 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.504 HG23 HD13 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -81.45 143.08 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.775 179.773 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -138.32 117.31 12.49 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.362 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.453 ' H ' ' HB3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -90.02 156.53 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 121.032 0.444 . . . . 0.0 111.522 -178.819 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -97.16 -166.33 1.38 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.407 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -73.92 -22.8 59.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.683 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -77.62 -4.63 46.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.46 -13.26 62.61 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -68.51 145.24 54.21 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.996 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.471 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 19.3 mtt -81.77 -173.02 4.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 110.961 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.409 ' H ' HG12 ' A' ' 18' ' ' VAL . . . 179.83 130.27 1.45 Allowed Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 93.8 mmm -73.37 155.44 39.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.256 0.55 . . . . 0.0 111.521 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 30' ' ' ASN . 0.4 OUTLIER -157.04 103.76 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.22 178.707 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.836 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -73.88 -177.32 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.266 -179.161 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -68.22 -25.0 64.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.526 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -80.13 15.73 1.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.27 2.66 15.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.836 ' H ' HD21 ' A' ' 30' ' ' ASN . 68.3 mttm -96.42 158.87 15.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.815 0.34 . . . . 0.0 110.32 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 m -82.84 167.58 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.735 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.7 mmt -144.52 112.74 6.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.473 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.699 HD22 ' N ' ' A' ' 38' ' ' MET . 0.1 OUTLIER -52.23 136.43 30.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.26 -179.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.699 ' N ' HD22 ' A' ' 37' ' ' ASN . 9.1 ttm -145.84 114.43 4.68 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.085 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.05 139.75 33.54 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 121.651 1.567 . . . . 0.0 112.056 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.83 126.81 28.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.985 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.51 -11.57 35.99 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -72.55 71.39 0.96 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.393 0.616 . . . . 0.0 109.473 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.403 HG23 ' H ' ' A' ' 43' ' ' VAL . 21.9 t -31.69 131.22 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.492 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 24.3 mtm -114.12 149.85 34.98 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -127.48 122.48 33.53 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.775 0.322 . . . . 0.0 110.908 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.0 p -79.53 168.1 19.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -55.0 -38.26 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.548 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.72 -1.0 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.172 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 31.23 50.45 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.2 m -84.39 116.39 23.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 110.228 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -77.48 108.6 10.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.47 129.14 74.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.471 ' O ' ' SD ' ' A' ' 26' ' ' MET . 65.4 mt -89.51 142.36 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.431 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.3 tpt -72.08 87.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.741 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -62.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.814 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.449 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -74.29 80.13 0.88 Allowed Glycine 0 CA--C 1.526 0.766 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.423 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.2 t-20 -74.56 -8.91 57.85 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.3 -0.56 . . . . 0.0 109.98 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 58' ' ' GLU . 3.8 mp0 -82.58 70.04 9.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.178 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.0 pt -69.84 -12.33 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.03 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -49.04 -29.03 4.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.066 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -58.79 -50.4 74.09 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.047 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.53 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.4 tt -61.24 -51.12 70.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.896 0.379 . . . . 0.0 109.994 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 65' ' ' ALA . 38.2 t70 -56.69 169.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.7 -2.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' A' ' 63' ' ' ASP . . . -77.61 60.43 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.585 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.1 mt -72.05 171.42 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' GLY . 81.1 ttt180 -167.4 149.22 5.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.571 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -64.15 76.68 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' SER . . . -67.45 -73.78 0.63 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.504 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -65.0 74.53 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.635 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' GLY . 30.5 t -170.04 115.11 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.51 91.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 179.5 -65.11 0.08 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.814 0 CA-C-O 117.992 -1.449 . . . . 0.0 110.933 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.532 ' O ' ' N ' ' A' ' 3' ' ' MET . 6.1 m . . . . . 0 N--CA 1.498 1.958 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.484 ' OD1' ' C ' ' A' ' 1' ' ' VAL . 0.5 OUTLIER 60.9 -73.89 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.716 0.294 . . . . 0.0 110.818 178.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.532 ' N ' ' O ' ' A' ' 1' ' ' VAL . 27.4 ttt -54.14 -41.23 68.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.55 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -57.34 -52.56 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.3 t30 52.6 59.09 4.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.675 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 7' ' ' VAL . 12.2 p -131.13 154.99 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.415 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.439 ' N ' HG22 ' A' ' 6' ' ' VAL . 98.8 t -151.78 154.09 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.436 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' N ' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -99.09 143.85 28.9 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.4 m -154.24 110.99 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.766 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -106.51 120.63 42.42 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.822 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.07 91.72 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.798 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.78 153.51 36.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.052 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -75.76 -14.33 60.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.606 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -81.41 12.29 3.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.472 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.45 -15.91 27.17 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.564 -1.015 . . . . 0.0 110.564 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 17' ' ' LYS . 26.6 t -87.87 -170.23 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.522 ' N ' ' OG ' ' A' ' 16' ' ' SER . 15.7 ptpt -163.09 146.83 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.771 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.2 OUTLIER -98.88 155.64 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -142.34 118.04 10.44 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.244 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -86.62 156.65 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 111.312 -178.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -97.54 -162.48 0.96 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.152 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -77.35 -23.0 50.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.697 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -81.61 7.27 12.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.85 -13.11 14.39 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -64.91 145.54 56.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.49 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 9.9 mtt -80.03 179.48 7.58 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.145 0.498 . . . . 0.0 111.043 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.454 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -156.61 111.93 0.5 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.443 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.8 tpt -79.79 133.2 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' O ' ' OG ' ' A' ' 16' ' ' SER . 11.1 pt-20 -155.26 128.6 8.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.131 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.817 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -73.1 -163.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -81.3 -31.38 33.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -80.32 14.88 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.827 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.04 2.93 27.15 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.817 ' H ' HD21 ' A' ' 30' ' ' ASN . 65.2 mmtt -81.37 122.19 27.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.739 0.304 . . . . 0.0 110.321 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.5 p -62.1 130.1 43.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.734 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.9 mtt -116.75 112.9 21.82 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.847 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.558 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -61.68 109.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.018 -179.638 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.46 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 30.1 ttm -108.69 124.23 34.93 Favored Pre-proline 0 CA--C 1.54 0.564 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.78 144.97 2.09 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 121.523 1.482 . . . . 0.0 112.061 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -74.24 77.82 1.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.233 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.73 -19.07 0.11 Allowed Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.406 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -56.02 129.53 40.22 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.75 116.55 28.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 33.2 mtm -101.46 139.12 37.56 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -121.07 122.64 40.5 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.721 0.296 . . . . 0.0 110.851 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.1 p -79.63 162.66 25.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -53.69 -38.37 64.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.455 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -69.7 -5.07 22.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.252 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 30.92 35.07 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -89.74 116.44 27.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.831 0.348 . . . . 0.0 110.245 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -76.3 116.95 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 pt -136.04 118.43 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.672 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.49 ' O ' ' SD ' ' A' ' 26' ' ' MET . 63.7 mt -86.49 145.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.825 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.9 tpt -65.85 83.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.433 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -72.27 -69.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.208 0.528 . . . . 0.0 110.215 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.468 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -69.34 66.18 0.55 Allowed Glycine 0 CA--C 1.525 0.663 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.806 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 38' ' ' MET . 3.8 t-20 -61.87 -6.3 2.65 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.851 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.523 ' OE1' ' NH2' ' A' ' 61' ' ' ARG . 31.4 mt-10 -80.03 74.93 6.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.138 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.443 HG22 ' H ' ' A' ' 28' ' ' MET . 25.0 pt -71.62 -12.34 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.823 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -51.84 -29.13 18.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.622 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.523 ' NH2' ' OE1' ' A' ' 58' ' ' GLU . 11.5 mpt_? -61.33 -50.25 73.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.427 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 tp -50.81 -51.02 54.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.262 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.07 119.33 22.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 51.23 78.71 0.11 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.633 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.19 134.48 53.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.594 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.1 mp -69.59 87.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.42 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 66' ' ' LEU . 55.6 ttp180 58.2 154.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.554 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 69' ' ' GLY . 3.6 tmtm? -60.32 101.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.19 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 68' ' ' LYS . . . -44.51 171.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 56.41 89.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.9 p -170.56 141.51 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -64.11 -35.4 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.475 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.17 90.68 0.02 OUTLIER Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.696 0 CA-C-O 118.048 -1.418 . . . . 0.0 110.969 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.515 ' N ' ' H ' ' A' ' 70' ' ' HIS . 32.6 m . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -146.24 134.4 21.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 -179.591 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.8 mtt -55.25 -30.37 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.546 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.5 t -57.21 -23.6 48.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.511 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -75.18 104.36 5.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.8 m -131.1 154.91 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.469 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . 13.3 p -77.58 -15.84 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.555 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' NZ ' ' O ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -148.12 151.01 34.89 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.547 179.812 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.4 m -154.04 110.71 3.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.295 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -108.36 109.59 20.94 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.922 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.43 93.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.973 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.49 HD13 HG23 ' A' ' 18' ' ' VAL . 1.6 mp -71.51 160.5 32.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.089 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -75.97 -18.07 59.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.451 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -81.31 13.92 2.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.495 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.35 -11.2 13.41 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.9 p -80.12 -176.7 5.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.828 0.346 . . . . 0.0 110.552 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -151.05 126.24 9.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.388 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 HD13 ' A' ' 12' ' ' LEU . 1.7 t -81.52 152.31 4.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.518 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -142.85 117.16 9.59 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.426 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -94.35 156.55 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 121.343 0.592 . . . . 0.0 111.924 -178.574 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 94.2 m-85 -97.8 -166.14 1.34 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.498 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -77.41 -19.97 55.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.298 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -78.46 -4.39 48.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.592 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.02 -17.8 48.82 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -64.27 145.01 56.71 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.506 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 12.8 mtt -78.25 -167.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.59 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -162.49 115.8 0.68 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.462 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.1 tpt -87.47 145.49 26.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.208 0.528 . . . . 0.0 111.602 -178.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -156.11 117.96 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.617 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.869 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -61.46 155.75 21.05 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.667 -179.427 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -51.94 -5.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.402 -179.36 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 30' ' ' ASN . 4.0 t80 -93.5 15.34 16.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.492 -179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.31 2.87 16.18 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.869 ' H ' HD21 ' A' ' 30' ' ' ASN . 5.2 ttpm? -95.55 164.45 12.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.384 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.0 p -75.58 144.08 42.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.706 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttt -129.54 115.28 17.21 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.827 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.473 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -68.61 98.48 0.89 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.237 -179.468 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.4 ttm -106.95 115.45 60.22 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.926 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -43.89 151.63 0.43 Allowed 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.919 1.746 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -76.93 83.39 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.326 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.31 -12.0 0.33 Allowed Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -70.8 96.44 1.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.435 0.636 . . . . 0.0 109.598 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' H ' HG23 ' A' ' 43' ' ' VAL . 4.0 t -52.89 130.35 14.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.481 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 30.4 mtm -112.99 134.34 54.54 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -114.02 122.69 47.7 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.94 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.4 p -80.27 161.7 24.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -54.51 -38.18 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.574 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.19 -0.68 10.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.81 39.01 34.94 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.6 m -98.93 117.99 34.69 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.811 0.339 . . . . 0.0 110.236 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -76.78 119.43 20.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.77 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 pt -137.31 126.89 36.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.541 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.506 ' O ' ' SD ' ' A' ' 26' ' ' MET . 6.4 mm -89.86 145.24 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.953 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.5 tpt -69.35 79.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.691 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -68.47 -55.82 10.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.779 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.429 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -79.59 74.56 2.24 Favored Glycine 0 CA--C 1.523 0.536 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.08 -178.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.2 t-20 -74.39 -5.45 42.45 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.323 -0.551 . . . . 0.0 109.595 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -86.74 52.12 2.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.868 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 28' ' ' MET . 12.3 pt -45.89 -23.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.849 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -49.0 -28.52 3.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.607 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.419 HH21 ' HB3' ' A' ' 65' ' ' ALA . 8.6 tpm_? -53.06 -50.35 64.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.336 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pp -54.63 -27.58 40.55 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.738 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.8 -72.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.445 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -70.21 148.77 48.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.399 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.419 ' HB3' HH21 ' A' ' 61' ' ' ARG . . . 54.97 80.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.502 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -82.89 -102.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.301 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' H ' ' CG ' ' A' ' 66' ' ' LEU . 65.6 ttp85 54.9 106.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.565 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -152.49 64.07 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.86 140.68 31.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.515 ' H ' ' N ' ' A' ' 1' ' ' VAL . 16.0 p-80 -66.69 144.67 56.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.524 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.5 t -169.56 140.03 2.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -63.33 81.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.24 -75.11 0.34 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.678 0 CA-C-O 118.088 -1.395 . . . . 0.0 110.988 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -155.02 75.07 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.531 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 3' ' ' MET . 1.7 tmt? -62.53 -51.76 66.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' VAL . 15.7 m -71.51 -36.06 70.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.523 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 54.87 -83.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' SER . 33.9 m -73.93 139.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.58 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.5 m -152.86 -10.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.403 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.82 130.33 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 m -154.04 110.82 3.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.648 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -96.34 104.77 16.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.745 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -71.03 87.39 0.75 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.082 0.468 . . . . 0.0 110.814 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.516 HD13 HG23 ' A' ' 18' ' ' VAL . 2.2 mp -55.24 147.93 15.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.803 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -71.7 -16.74 62.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.06 14.73 2.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.14 -14.25 15.98 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -68.25 -168.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.684 0.278 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -162.74 122.88 2.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.577 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.516 HG23 HD13 ' A' ' 12' ' ' LEU . 2.6 t -87.68 148.12 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.891 0.377 . . . . 0.0 110.857 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -143.03 116.85 9.31 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.41 156.61 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 121.077 0.465 . . . . 0.0 111.483 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.459 ' CZ ' ' CE1' ' A' ' 19' ' ' HIS . 64.0 m-85 -98.47 -164.96 1.19 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.538 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -77.31 -19.3 56.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -77.64 -4.44 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.72 -5.44 81.88 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -76.36 145.24 39.61 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.42 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 21.4 mtt -82.91 -169.73 2.65 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.061 0.457 . . . . 0.0 111.229 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.2 126.82 1.13 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 86.7 mmm -77.91 141.33 39.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.399 . . . . 0.0 111.506 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' CD ' ' CD2' ' A' ' 62' ' ' LEU . 15.9 mm-40 -147.69 104.09 3.57 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 177.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 34' ' ' LYS . 36.1 p-10 -76.94 175.06 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.147 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -54.58 -33.96 61.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.977 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -80.04 12.61 2.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.59 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.39 2.98 17.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 16.1 mtpp -82.16 145.37 30.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 p -79.06 135.92 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.99 114.51 28.68 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -64.35 88.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.964 -179.302 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.53 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 36.1 ttm -104.4 123.43 40.52 Favored Pre-proline 0 CA--C 1.537 0.455 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -76.16 163.05 33.39 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 121.794 1.663 . . . . 0.0 111.935 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -69.49 128.25 35.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.724 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 -23.55 7.92 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -70.97 101.9 2.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.282 0.563 . . . . 0.0 109.679 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -66.96 125.16 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.229 -179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.47 ' HB3' HD11 ' A' ' 12' ' ' LEU . 29.4 mtm -104.56 152.66 22.14 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -134.13 123.24 24.08 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.924 0.392 . . . . 0.0 111.559 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.445 ' HG1' ' CB ' ' A' ' 50' ' ' THR . 20.0 p -65.6 178.65 0.95 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.572 179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -67.2 -35.6 79.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.416 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 49' ' ' GLY . 3.1 p30 -73.71 -43.01 60.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.405 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 48' ' ' ASP . . . 129.43 39.23 0.3 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.445 ' CB ' ' HG1' ' A' ' 46' ' ' THR . 9.2 m -87.41 135.79 33.19 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -91.68 119.06 31.21 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.864 0.364 . . . . 0.0 110.661 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -137.5 125.6 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.903 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.405 ' O ' ' SD ' ' A' ' 26' ' ' MET . 12.1 mm -89.04 145.69 7.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.834 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.408 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 11.3 tpt -73.7 88.86 1.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.201 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -80.09 -46.89 15.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.42 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -87.84 71.63 2.57 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.538 -178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.9 t-20 -72.89 -14.72 61.54 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 60' ' ' PHE . 63.2 mt-10 -78.4 54.45 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.223 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.7 pt -46.03 -19.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.411 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.425 ' N ' ' C ' ' A' ' 58' ' ' GLU . 61.7 t80 -49.17 -28.51 4.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.461 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -52.64 -50.2 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.798 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' CD2' ' CD ' ' A' ' 29' ' ' GLU . 21.6 tp -50.4 -51.15 48.83 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.103 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.07 159.69 5.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.55 -172.77 1.51 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.676 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 67' ' ' ARG . . . -172.16 39.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.514 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.3 tp 64.95 -3.63 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.449 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.486 ' H ' ' C ' ' A' ' 65' ' ' ALA . 70.1 mtp85 -72.95 -54.32 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -69.99 -46.57 64.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.544 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.78 -171.28 47.86 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -65.72 -12.42 53.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.353 . . . . 0.0 110.551 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.4 t -59.25 149.39 28.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.536 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -61.55 -36.26 80.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 61.95 92.95 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.645 0 CA-C-O 117.959 -1.467 . . . . 0.0 110.955 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 57.36 -178.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.436 ' C ' ' N ' ' A' ' 5' ' ' ASN . 12.3 tpt -66.5 -29.21 69.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 51.1 m -50.13 -13.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.525 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' N ' ' C ' ' A' ' 3' ' ' MET . 58.5 t30 -53.13 138.29 31.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.532 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.82 106.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.532 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.3 m -76.06 -165.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.587 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.43 141.67 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.5 m -154.35 110.65 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.059 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -103.71 115.52 30.64 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -72.68 98.58 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.374 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.467 HD13 HG23 ' A' ' 18' ' ' VAL . 1.4 mp -69.09 163.38 24.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.921 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -78.94 -18.65 53.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.386 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -83.48 16.75 2.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.566 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.49 -15.33 7.51 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.2 p -74.36 174.8 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.445 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -146.48 123.58 11.46 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.467 HG23 HD13 ' A' ' 12' ' ' LEU . 1.3 t -79.86 156.12 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.12 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -143.37 117.24 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.23 153.48 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.093 0.473 . . . . 0.0 110.886 -179.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -96.21 -165.96 1.35 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.339 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -76.96 -18.02 58.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.421 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -82.33 1.8 35.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.84 -16.55 26.15 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -64.11 146.0 54.96 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.3 mtt -79.35 -172.77 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.301 0.572 . . . . 0.0 111.219 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -158.94 113.52 0.57 Allowed Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 tpt -85.51 84.38 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 111.261 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -104.75 104.61 14.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.171 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.733 ' ND2' ' H ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -64.24 160.93 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.727 -179.686 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -10.05 56.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.883 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.584 ' N ' HD22 ' A' ' 30' ' ' ASN . 15.7 t80 -80.09 11.45 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.755 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.32 32.63 82.56 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.733 ' H ' ' ND2' ' A' ' 30' ' ' ASN . 65.7 mttm -139.14 161.54 37.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -90.38 119.06 30.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.623 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.448 ' SD ' ' C ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -95.9 112.66 24.33 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.189 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.506 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -65.17 105.23 1.04 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.777 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.438 ' N ' HD22 ' A' ' 37' ' ' ASN . 29.9 ttm -108.7 122.93 38.65 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.916 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.36 144.92 4.17 Favored 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 121.538 1.492 . . . . 0.0 111.799 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -74.06 80.7 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.19 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.37 -15.66 0.16 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.559 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -58.3 129.89 44.12 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 t -83.01 113.5 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.658 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 47.0 mtm -98.04 135.09 40.23 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -118.63 122.52 42.75 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.757 0.313 . . . . 0.0 110.995 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.2 p -75.88 176.8 7.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -67.76 -38.32 83.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -71.51 -6.32 39.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.201 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.75 32.52 15.01 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.5 m -90.24 116.3 28.11 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.854 0.359 . . . . 0.0 110.199 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -78.73 108.71 12.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.71 124.19 68.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.006 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.5 ' O ' ' SD ' ' A' ' 26' ' ' MET . 11.8 mm -87.91 145.89 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.01 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.8 tpt -71.84 84.29 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.559 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -75.44 -53.96 7.82 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.418 0.628 . . . . 0.0 110.349 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.446 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -75.9 63.48 2.78 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.908 -178.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.6 t-20 -71.0 -4.15 23.28 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.808 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 60' ' ' PHE . 55.6 mt-10 -85.8 48.0 1.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.384 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.9 pt -46.01 -15.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.766 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' GLU . 54.5 t80 -49.22 -29.12 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.54 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -60.82 -50.01 75.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.587 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.2 tt -57.4 -51.25 70.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.196 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.06 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.559 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.506 ' H ' ' CD ' ' A' ' 64' ' ' GLU . 25.7 mp0 -73.12 -129.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.01 86.69 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.589 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.613 HD22 ' N ' ' A' ' 66' ' ' LEU . 3.3 mm? -73.82 172.38 11.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -72.17 97.3 1.93 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.434 ' H ' ' H ' ' A' ' 69' ' ' GLY . 60.7 pttt -171.88 7.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.434 ' H ' ' H ' ' A' ' 68' ' ' LYS . . . -63.38 -35.77 92.5 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -61.92 -55.09 33.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.506 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 m -66.05 133.1 50.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -173.76 175.45 2.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.47 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 60.48 96.64 0.01 OUTLIER Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.946 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.411 ' C ' ' OD1' ' A' ' 2' ' ' ASP . 32.7 m . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.4 OUTLIER -145.78 40.4 1.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.524 -179.634 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.464 ' C ' ' H ' ' A' ' 5' ' ' ASN . 1.7 tmt? -67.98 -48.87 64.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.444 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.527 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 80.9 p -60.53 -2.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.597 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 4' ' ' SER . 6.7 p30 42.69 60.25 2.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.63 157.04 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.58 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.4 t -148.25 91.91 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.524 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -98.98 134.01 42.43 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.154 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 m -146.76 147.32 30.8 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.897 0.38 . . . . 0.0 110.84 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -140.54 98.11 3.35 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.072 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.71 95.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.218 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.482 HD13 HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -72.94 161.1 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.068 179.696 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -78.91 -16.0 57.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.462 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -83.01 12.97 4.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.537 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.25 -12.72 30.57 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.1 p -84.71 -179.66 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.292 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -148.87 127.63 12.53 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.282 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.482 HG23 HD13 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -83.82 152.47 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.393 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.525 ' ND1' ' N ' ' A' ' 19' ' ' HIS . 0.2 OUTLIER -142.69 117.4 9.83 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.708 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.27 156.73 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 121.059 0.457 . . . . 0.0 110.832 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.96 -163.38 1.04 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.132 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' HD3' ' H ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -77.45 -25.02 50.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.811 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -81.1 6.56 13.33 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.93 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.38 -14.4 34.86 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 121.2 -0.524 . . . . 0.0 111.988 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -64.07 145.77 55.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.079 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.504 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.8 mtt -81.52 -179.75 7.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.828 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.01 132.26 3.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.281 -1.127 . . . . 0.0 110.281 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.498 ' H ' HG22 ' A' ' 59' ' ' ILE . 7.8 tpt -112.62 112.36 23.82 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.792 0.33 . . . . 0.0 111.148 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -145.35 110.12 5.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.988 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -58.48 173.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.885 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.77 -8.18 59.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.905 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -80.22 5.13 15.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.459 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.26 2.91 74.96 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -105.04 122.14 45.26 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.301 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.6 p -59.86 133.94 56.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.506 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.0 mmm -108.93 112.46 24.7 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.539 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -73.33 86.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.467 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 41.6 ttm -86.84 123.05 71.12 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.91 135.35 21.16 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.745 1.63 . . . . 0.0 111.981 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -46.78 127.56 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.648 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.05 -20.46 9.8 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -70.89 74.22 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.4 0.619 . . . . 0.0 109.644 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 43' ' ' VAL . 6.5 t -36.63 121.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.565 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 46.2 mtm -104.58 141.06 37.09 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -125.83 122.58 36.53 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.773 0.321 . . . . 0.0 110.886 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.6 p -79.69 162.95 24.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -53.72 -38.24 64.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.349 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -69.42 -4.76 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.87 30.48 35.26 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.2 m -86.7 116.32 24.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.704 0.287 . . . . 0.0 110.378 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -77.77 108.62 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.384 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pt -126.31 120.49 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.847 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.504 ' O ' ' SD ' ' A' ' 26' ' ' MET . 6.3 mm -84.06 145.53 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.833 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.9 tpt -69.44 81.19 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.084 0.469 . . . . 0.0 109.801 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -72.04 -76.56 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.095 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.483 ' H ' ' H ' ' A' ' 26' ' ' MET . . . -59.98 72.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.598 -179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.7 t-20 -70.79 -4.43 23.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.091 0.472 . . . . 0.0 109.895 179.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -81.81 67.24 7.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.498 HG22 ' H ' ' A' ' 28' ' ' MET . 30.9 pt -61.66 -12.33 6.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.715 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.37 -29.17 65.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -55.72 -50.03 71.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.507 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.1 tt -52.71 -51.21 61.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 110.14 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 65' ' ' ALA . 1.1 m-20 -50.7 160.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.545 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 66' ' ' LEU . 80.0 mm-40 -52.63 85.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.37 42.79 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.601 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.414 ' H ' ' C ' ' A' ' 64' ' ' GLU . 11.7 mt 56.26 170.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.492 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -62.15 -55.01 33.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.511 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -72.83 139.66 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.581 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -177.24 -106.71 0.2 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 55.34 28.49 11.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 0.0 110.519 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.7 p 53.06 96.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -63.66 -28.1 69.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.561 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.68 81.11 0.1 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.695 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.89 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 3.6 p-10 -175.76 42.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.461 ' C ' ' N ' ' A' ' 5' ' ' ASN . 22.1 ptt? -75.32 -28.12 59.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 63.8 p -49.53 -12.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.461 ' N ' ' C ' ' A' ' 3' ' ' MET . 25.2 t-20 -46.45 154.41 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.1 p -57.38 135.62 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.558 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -76.54 178.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.04 145.89 26.64 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.587 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.8 m -154.19 110.87 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.423 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -107.81 102.47 11.68 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.845 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.41 86.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.078 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.457 HD13 HG23 ' A' ' 18' ' ' VAL . 2.9 mp -57.35 162.5 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.492 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.04 -21.19 47.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.327 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -79.23 14.93 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.69 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.9 -15.58 10.03 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 p -71.56 177.82 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.678 0.275 . . . . 0.0 110.389 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -151.64 122.99 7.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.892 0.377 . . . . 0.0 110.502 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 HD13 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -90.44 148.71 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.32 179.748 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.497 ' NE2' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -142.52 117.4 9.93 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.205 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -83.44 156.79 3.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.534 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.79 -170.33 1.74 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.5 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' NZ ' ' C ' ' A' ' 68' ' ' LYS . 48.8 mtmt -65.26 -24.86 67.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.638 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.539 ' CG ' HH22 ' A' ' 61' ' ' ARG . 1.4 m-20 -79.08 14.52 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.625 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.89 3.11 2.24 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 23' ' ' ASP . 87.3 mttt -82.19 145.47 30.06 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.494 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 10.2 mtt -78.47 178.78 7.48 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.407 0.622 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.429 ' O ' HG13 ' A' ' 18' ' ' VAL . . . -152.48 119.38 0.96 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.557 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.3 tpt -87.69 121.0 29.57 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.963 0.411 . . . . 0.0 111.162 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.475 ' OE2' ' N ' ' A' ' 30' ' ' ASN . 9.9 tp10 -144.25 130.1 19.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.745 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.475 ' N ' ' OE2' ' A' ' 29' ' ' GLU . 37.9 p-10 -79.23 -166.41 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.825 0.345 . . . . 0.0 111.014 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -80.74 -30.6 36.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.404 ' HB2' HD21 ' A' ' 30' ' ' ASN . 55.1 m-85 -80.17 17.14 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.611 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.45 2.93 17.2 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' O ' ' OE2' ' A' ' 29' ' ' GLU . 52.5 tttp -83.65 126.45 32.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.816 0.341 . . . . 0.0 110.418 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.6 m -65.69 124.49 22.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.754 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 48.5 mmm -104.51 112.74 25.93 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.54 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -67.15 88.07 0.17 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.303 -179.304 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 46.3 ttm -91.83 125.34 57.58 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.79 135.38 19.42 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.834 1.689 . . . . 0.0 112.065 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -46.25 124.94 6.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.99 -20.23 7.66 Favored Glycine 0 N--CA 1.467 0.735 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -72.83 80.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.482 0.658 . . . . 0.0 109.748 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 43' ' ' VAL . 5.8 t -41.5 122.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.401 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 61.2 mtm -103.7 151.64 22.75 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -137.15 126.94 25.54 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.221 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.631 HG23 HD11 ' A' ' 52' ' ' ILE . 22.6 p -74.8 171.12 14.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.823 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -64.37 -30.46 71.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.764 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 49' ' ' GLY . 2.8 p30 -73.21 -44.18 60.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.284 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 48' ' ' ASP . . . 128.7 38.08 0.37 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -96.36 129.82 43.61 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -87.07 108.65 18.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.631 HD11 HG23 ' A' ' 46' ' ' THR . 0.0 OUTLIER -122.6 122.63 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.629 179.056 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.494 ' O ' ' SD ' ' A' ' 26' ' ' MET . 12.8 mm -87.93 144.28 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.069 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.6 tpt -68.51 78.59 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.499 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' HZ2' ' HB2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -67.75 -73.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.039 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.494 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -64.19 86.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.902 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.2 t-20 -74.89 -4.05 35.64 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.654 179.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 58' ' ' GLU . 25.3 mp0 -83.57 78.44 9.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.043 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.557 HG22 ' H ' ' A' ' 28' ' ' MET . 18.6 pt -71.09 -24.42 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.237 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.402 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 58.0 t80 -49.14 -28.94 4.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.798 0.332 . . . . 0.0 110.382 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.539 HH22 ' CG ' ' A' ' 23' ' ' ASP . 3.5 tpt180 -56.28 -29.06 60.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.546 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.497 ' CD2' ' NE2' ' A' ' 19' ' ' HIS . 16.2 mt -49.48 -27.81 4.67 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.633 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 63' ' ' ASP . 17.0 p-10 -49.66 -70.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.666 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.499 ' H ' ' CG ' ' A' ' 63' ' ' ASP . 40.3 tt0 -173.81 140.94 0.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 67' ' ' ARG . . . -79.4 -63.02 1.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.647 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 tp 62.32 -70.99 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 65' ' ' ALA . 13.7 ptm180 -45.96 144.82 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.641 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' C ' ' NZ ' ' A' ' 22' ' ' LYS . 19.6 ptmt -72.71 -161.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.596 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.91 -103.0 0.16 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 86.4 t60 54.16 97.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.569 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.7 t 56.97 98.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.654 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -171.77 1.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.65 53.91 0.09 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.73 0 CA-C-O 117.966 -1.463 . . . . 0.0 110.941 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 5.9 p-10 -171.08 67.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.539 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.2 ptp -78.4 -29.62 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.6 m -57.0 -37.16 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.588 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -164.44 156.26 16.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.497 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 8' ' ' LYS . 2.1 m -57.77 105.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.36 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t 45.13 -89.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.733 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.531 ' N ' ' O ' ' A' ' 6' ' ' VAL . 12.1 ttmt -171.25 139.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -149.55 147.78 28.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.108 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -138.33 102.38 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.883 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -68.34 98.59 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.725 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.477 HD13 HG23 ' A' ' 18' ' ' VAL . 2.5 mp -70.33 166.7 19.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.161 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.432 ' C ' ' H ' ' A' ' 15' ' ' GLY . 33.7 mm-40 -78.82 -22.78 45.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.521 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -72.92 10.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.512 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . 80.83 -10.31 47.36 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -83.96 -169.15 2.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.359 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 ptpm? -160.49 132.68 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.441 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.477 HG23 HD13 ' A' ' 12' ' ' LEU . 1.7 t -83.67 151.99 3.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -143.06 117.32 9.57 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.18 156.34 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.008 0.433 . . . . 0.0 111.27 -179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -94.86 -166.59 1.49 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.603 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -77.43 -21.52 52.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.516 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -77.58 -4.63 46.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.738 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.37 -16.32 59.2 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -65.9 144.83 56.55 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.87 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.502 ' HB2' ' H ' ' A' ' 56' ' ' GLY . 8.3 mtt -77.4 -174.29 3.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.035 0.445 . . . . 0.0 110.57 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.59 125.14 1.44 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.462 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.5 tpt -90.26 81.53 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -105.57 104.57 14.32 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.284 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.2 p30 -71.83 160.27 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.694 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.532 ' CD ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -74.59 -1.11 20.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.736 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.11 -4.85 56.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.526 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.21 7.27 87.95 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -122.24 122.05 38.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.825 0.345 . . . . 0.0 110.43 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.7 m -59.68 129.77 43.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.529 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.5 mmt -101.91 130.37 48.39 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.049 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -82.35 89.08 6.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.203 -179.385 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 41.8 ttm -95.36 124.19 54.28 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.66 149.24 73.41 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 121.458 1.439 . . . . 0.0 111.941 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.46 103.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.943 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.81 -16.42 2.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -71.56 100.69 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.333 0.587 . . . . 0.0 109.611 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.5 t -49.28 124.95 2.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.953 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 58.0 mtm -108.78 132.61 53.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -122.85 123.72 41.63 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.955 0.407 . . . . 0.0 111.514 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.1 p -84.24 162.21 20.24 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.018 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 mtp-105 -59.53 -38.33 80.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.385 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -65.08 -6.8 9.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.088 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.39 34.2 20.68 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.0 m -97.69 116.33 29.69 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.508 ' HZ3' HD11 ' A' ' 53' ' ' ILE . 49.0 tttm -79.69 108.62 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.632 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pt -119.81 149.1 22.51 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.567 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.508 HD11 ' HZ3' ' A' ' 51' ' ' LYS . 26.2 mm -107.18 145.47 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.5 tpt -70.66 83.72 0.62 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -72.08 -70.63 0.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.607 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.502 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -66.96 84.45 0.11 Allowed Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.811 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.3 t-20 -76.49 -4.19 41.3 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -83.32 75.51 9.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 28' ' ' MET . 13.6 pt -73.27 -33.35 40.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.015 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 32.2 p90 -49.22 -28.85 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.623 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 8.2 tpm_? -53.09 -40.43 64.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.556 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.1 tp -50.53 -29.89 11.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.798 0.333 . . . . 0.0 110.456 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -59.41 112.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.54 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 55.46 105.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.512 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -169.41 26.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.515 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' CG ' ' H ' ' A' ' 67' ' ' ARG . 6.2 tp 51.45 -130.85 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.4 ' H ' ' CG ' ' A' ' 66' ' ' LEU . 56.2 ttp180 -172.09 -48.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.668 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -49.79 144.33 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -176.16 96.85 0.11 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.515 ' CG ' ' O ' ' A' ' 70' ' ' HIS . 86.4 t60 -171.22 9.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.557 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' GLY . 28.7 t -171.16 -81.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.589 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -58.85 85.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' SER . . . -65.92 -86.73 0.07 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 118.1 -1.389 . . . . 0.0 110.949 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.402 ' C ' ' OD1' ' A' ' 2' ' ' ASP . 27.6 m . . . . . 0 N--CA 1.496 1.841 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 1.6 p-10 -175.36 -27.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.495 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 3' ' ' MET . 1.8 mpt? -68.61 -48.9 62.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.599 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.4 ' C ' ' H ' ' A' ' 6' ' ' VAL . 68.9 m -63.57 -2.93 1.84 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.525 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 57.18 8.69 0.58 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.618 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.4 ' H ' ' C ' ' A' ' 4' ' ' SER . 14.0 p -69.99 138.05 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.57 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.3 151.32 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.662 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -98.98 141.28 31.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.293 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.459 HG21 ' HZ1' ' A' ' 17' ' ' LYS . 40.2 m -154.28 124.5 6.88 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.876 0.369 . . . . 0.0 111.683 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -116.41 91.18 3.51 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -55.06 96.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.835 0.35 . . . . 0.0 110.221 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.536 HD11 ' HB3' ' A' ' 44' ' ' MET . 1.1 mp -63.44 164.9 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.752 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' NE2' ' CD ' ' A' ' 45' ' ' GLU . 3.7 pt20 -78.93 -14.42 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.703 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.63 19.06 14.16 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.47 -19.4 7.11 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.9 m -63.4 165.91 7.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.691 0.281 . . . . 0.0 110.354 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.523 ' O ' ' CE1' ' A' ' 19' ' ' HIS . 13.4 mtpp -136.46 122.9 20.75 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.495 ' CG2' HD13 ' A' ' 12' ' ' LEU . 2.2 t -87.06 152.16 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.84 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -143.26 116.92 9.22 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.506 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.44 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.9 OUTLIER -107.06 138.64 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.664 -179.48 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CD1' ' NE ' ' A' ' 61' ' ' ARG . 28.9 m-85 -88.6 171.77 9.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.273 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -55.61 -20.4 13.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.66 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' A' ' 25' ' ' LYS . 3.5 m-20 -77.5 10.11 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.005 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.34 -13.14 1.13 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 23' ' ' ASP . 20.1 mmmt -64.02 145.05 56.57 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' NH2' ' A' ' 61' ' ' ARG . 5.5 mtt -88.77 -176.35 5.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.328 0.585 . . . . 0.0 111.129 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.405 ' O ' HG13 ' A' ' 18' ' ' VAL . . . -141.47 -172.89 13.49 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.6 tpt -170.48 134.37 1.12 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.872 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' OE2' ' O ' ' A' ' 33' ' ' GLY . 31.8 tt0 -155.25 115.5 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.547 179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.434 ' C ' ' N ' ' A' ' 32' ' ' PHE . 30.9 p30 -63.44 160.27 16.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -15.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.643 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.434 ' N ' ' C ' ' A' ' 30' ' ' ASN . 92.4 m-85 -80.28 3.9 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' OE2' ' A' ' 29' ' ' GLU . . . 69.4 2.98 37.08 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -95.49 139.52 31.65 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.508 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -63.6 110.64 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.42 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -87.17 112.69 22.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.496 -179.749 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.507 ' C ' ' ND2' ' A' ' 37' ' ' ASN . 0.8 OUTLIER -62.01 85.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.373 179.679 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 45.2 ttm -90.58 124.21 63.16 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.29 139.52 35.25 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.319 1.346 . . . . 0.0 111.73 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -53.37 100.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.945 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.35 -24.38 0.77 Allowed Glycine 0 CA--C 1.525 0.696 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.306 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 mttm -67.35 137.01 55.68 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.151 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.8 t -83.9 124.92 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.899 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.536 ' HB3' HD11 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -99.64 145.91 27.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.01 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' CD ' ' NE2' ' A' ' 13' ' ' GLN . 63.7 tt0 -136.59 122.6 20.2 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.603 -178.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 p -84.07 165.29 18.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.773 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 12' ' ' LEU . 63.8 mtt85 -64.52 -38.37 90.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.199 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.18 -8.01 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.186 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.99 46.28 6.74 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.7 m -111.21 123.75 50.82 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -80.12 128.31 33.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.157 0.503 . . . . 0.0 110.609 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -136.86 139.64 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.059 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.5 ' O ' ' SD ' ' A' ' 26' ' ' MET . 26.0 mm -107.04 141.54 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.401 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 6.9 tpt -63.1 89.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.602 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -80.9 -59.9 2.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.966 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -79.01 87.85 1.17 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.9 t-20 -72.26 -13.93 61.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.677 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.525 ' O ' ' NH1' ' A' ' 61' ' ' ARG . 48.7 mt-10 -82.65 64.98 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.382 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.22 -11.98 15.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.928 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -48.72 -28.89 3.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.454 -178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.525 ' NH1' ' O ' ' A' ' 58' ' ' GLU . 21.1 ptt-85 -63.73 -32.52 74.05 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.769 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -50.47 -51.26 48.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.997 0.427 . . . . 0.0 109.895 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 65' ' ' ALA . 17.3 m-20 -71.34 162.81 28.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.487 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.44 ' N ' ' CD ' ' A' ' 64' ' ' GLU . 4.9 mp0 54.47 -84.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.527 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 55.94 27.19 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.5 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 65' ' ' ALA . 0.8 OUTLIER 28.3 -146.48 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.698 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -171.86 80.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.561 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -131.01 -10.19 3.82 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.348 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.41 166.38 0.18 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.499 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 49.2 p-80 -68.33 78.85 0.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.745 0.307 . . . . 0.0 110.588 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.1 t -57.64 140.05 52.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.533 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 54.63 82.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.57 99.26 0.12 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.713 0 CA-C-O 118.021 -1.433 . . . . 0.0 110.992 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 3.0 p-10 -161.01 140.2 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.445 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.502 ' O ' ' ND2' ' A' ' 5' ' ' ASN . 14.5 ptp -60.38 -30.54 69.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.568 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.2 t -48.65 -52.81 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 3' ' ' MET . 54.5 m-80 44.37 -159.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.763 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.444 HG22 ' N ' ' A' ' 7' ' ' VAL . 14.0 p -60.66 157.17 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.453 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.444 ' N ' HG22 ' A' ' 6' ' ' VAL . 51.6 t -148.81 80.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -99.09 134.51 41.83 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 4.3 t -154.72 148.24 25.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.068 0.461 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 9' ' ' THR . 14.4 m-85 -141.59 108.69 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.638 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.65 97.83 0.11 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.8 0.333 . . . . 0.0 110.957 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.34 154.42 41.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.943 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.496 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 20.8 t70 -84.44 12.94 6.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.535 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.07 -23.51 5.97 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 m -81.67 -168.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 ptpp? -162.95 146.62 11.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.6 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.543 HG12 ' H ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -103.29 127.65 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.071 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER -117.66 117.28 28.94 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.752 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.45 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -92.73 151.43 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.241 0.543 . . . . 0.0 112.046 -177.39 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -92.63 -165.79 1.41 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -77.39 -16.33 58.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.383 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -78.46 -4.46 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.39 -8.94 65.91 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -75.82 145.76 40.41 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.52 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 36.3 mtt -86.2 -167.97 2.06 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 -179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.543 ' H ' HG12 ' A' ' 18' ' ' VAL . . . -178.46 111.92 0.35 Allowed Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 84.4 mmm -58.92 155.69 12.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.031 0.443 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -157.19 103.67 2.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.835 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 34' ' ' LYS . 34.6 p30 -84.09 153.0 24.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.773 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -62.68 -4.5 2.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.754 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -80.51 13.73 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.655 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.8 12.51 64.75 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' O ' ' OD1' ' A' ' 30' ' ' ASN . 68.8 mmtt -131.85 175.04 9.54 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.831 0.348 . . . . 0.0 110.272 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.479 ' OG ' ' N ' ' A' ' 36' ' ' MET . 11.3 t -91.05 177.47 6.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.479 ' N ' ' OG ' ' A' ' 35' ' ' SER . 6.5 mmt -142.14 122.68 14.13 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.56 HD22 ' N ' ' A' ' 38' ' ' MET . 1.2 t-20 -64.77 123.76 20.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.593 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.56 ' N ' HD22 ' A' ' 37' ' ' ASN . 38.9 ttm -136.88 121.69 12.68 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.462 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.31 136.77 16.24 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 C-N-CA 121.659 1.573 . . . . 0.0 111.79 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.2 127.57 10.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.21 -24.56 6.94 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -69.92 99.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.327 0.584 . . . . 0.0 109.777 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 t -61.99 124.9 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.0 mtm -106.94 137.1 45.64 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -107.48 122.34 46.44 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.735 0.302 . . . . 0.0 110.945 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.2 p -79.11 165.29 23.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.46 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -54.34 -35.22 62.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.498 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -79.34 -4.07 49.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.429 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.23 31.9 36.84 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.5 m -85.38 132.2 34.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.771 0.319 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -83.44 117.26 22.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.94 0.4 . . . . 0.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -134.04 125.07 47.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.462 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.52 ' O ' ' SD ' ' A' ' 26' ' ' MET . 7.4 mm -91.19 138.32 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.749 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 56' ' ' GLY . 10.6 tpt -65.98 105.72 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.065 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -96.58 -44.26 7.22 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.444 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -90.89 75.47 1.61 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.265 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 1.2 t-20 -70.26 -14.91 62.81 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.616 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 60' ' ' PHE . 50.4 mt-10 -80.05 55.77 2.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.155 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.6 pt -46.39 -12.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.014 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 58' ' ' GLU . 95.6 m-85 -48.98 -29.04 4.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.65 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -57.75 -50.14 74.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.751 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.1 tp -59.13 -51.13 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.401 . . . . 0.0 110.416 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -64.13 111.6 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -171.59 -130.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.312 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -177.33 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -83.22 71.35 10.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.249 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.8 ptm85 -71.95 135.96 46.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -173.55 160.73 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.419 ' O ' ' OD1' ' A' ' 5' ' ' ASN . . . 160.96 174.48 30.86 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -171.88 -67.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.571 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.4 t -172.21 -25.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -62.24 -61.92 2.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.555 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 57.74 -92.41 0.03 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 117.944 -1.476 . . . . 0.0 111.008 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 3' ' ' MET . 2.5 p-10 -174.03 -98.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.488 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 75.7 mmm -52.16 -28.27 17.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.541 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -53.79 -28.5 35.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.594 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -159.93 108.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.558 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 7' ' ' VAL . 33.0 m -131.2 144.46 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 6' ' ' VAL . 6.8 t 60.13 140.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.679 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -172.48 142.22 1.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.538 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m -154.14 110.82 3.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.491 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -103.94 110.27 22.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.031 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.16 96.36 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.95 0.405 . . . . 0.0 111.015 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD13 HG23 ' A' ' 18' ' ' VAL . 1.3 mp -73.13 161.8 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.038 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -78.96 -17.41 55.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.588 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -81.81 14.06 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.433 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.29 -9.79 25.16 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 p -80.61 -176.83 5.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.773 0.32 . . . . 0.0 110.45 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -152.24 123.26 7.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.212 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.486 HG23 HD13 ' A' ' 12' ' ' LEU . 1.8 t -78.22 153.52 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.669 -0.412 . . . . 0.0 109.934 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -143.04 116.96 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 m -91.5 156.83 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.976 0.417 . . . . 0.0 110.726 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -102.69 -165.53 1.19 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.341 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -71.73 -26.06 62.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.634 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 25' ' ' LYS . 4.0 m-20 -79.29 11.07 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.54 -11.54 2.27 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 23' ' ' ASP . 34.8 mtmt -64.23 145.59 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 8.1 mtt -80.38 176.46 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.437 0.637 . . . . 0.0 111.107 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.66 124.02 1.65 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.46 ' H ' HG22 ' A' ' 59' ' ' ILE . 10.6 tpt -91.75 78.87 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 111.266 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -99.45 104.56 16.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.26 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.762 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -67.78 160.75 27.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.872 0.368 . . . . 0.0 110.715 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.39 -2.44 28.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -80.31 13.53 2.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.48 25.19 72.62 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.762 ' H ' HD21 ' A' ' 30' ' ' ASN . 98.4 mttt -139.06 169.23 18.16 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.813 0.339 . . . . 0.0 110.391 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.5 ' OG ' HD12 ' A' ' 59' ' ' ILE . 19.7 t -98.6 124.01 43.13 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -97.24 112.59 24.33 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.539 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -69.46 87.9 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.514 -179.269 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 39.1 ttm -91.13 125.03 59.94 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.57 134.52 22.45 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.564 1.509 . . . . 0.0 112.018 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.35 131.63 10.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.673 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.02 -21.52 15.58 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -70.34 87.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' H ' HG23 ' A' ' 43' ' ' VAL . 4.8 t -51.26 126.84 6.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.536 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 28.5 mtm -109.92 139.7 44.72 Favored 'General case' 0 C--N 1.334 -0.094 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 46' ' ' THR . 8.1 tp10 -123.37 122.71 38.99 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.523 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 27.4 p -80.7 156.2 26.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.482 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -58.35 -27.11 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.544 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.37 -4.49 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 109.974 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.27 16.83 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.474 ' N ' ' OE1' ' A' ' 45' ' ' GLU . 21.3 m -111.04 116.2 30.76 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.83 115.1 20.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.459 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pt -126.95 126.21 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.79 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.488 ' O ' ' SD ' ' A' ' 26' ' ' MET . 65.7 mt -88.44 145.41 7.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 tpt -70.76 82.06 0.62 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.155 0.503 . . . . 0.0 109.672 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -72.61 -65.84 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.663 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.48 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -71.17 70.81 0.79 Allowed Glycine 0 CA--C 1.526 0.753 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.823 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.3 t-20 -69.27 -4.56 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.479 -0.488 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -82.17 61.44 5.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.133 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.5 HD12 ' OG ' ' A' ' 35' ' ' SER . 28.6 pt -54.9 -18.97 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.855 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -49.08 -28.71 4.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -52.75 -31.64 39.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.33 -30.74 12.77 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.208 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.25 163.53 27.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.578 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -61.66 126.51 27.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.571 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -170.91 64.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.457 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.5 mt -73.2 44.56 0.15 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.483 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.32 148.03 46.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.666 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' NZ ' ' CB ' ' A' ' 68' ' ' LYS . 9.1 mtmp? -68.05 84.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.29 -160.04 5.76 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.9 t60 54.02 96.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.775 0.322 . . . . 0.0 110.667 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.5 p -171.06 -62.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 54.66 83.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.559 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.78 81.99 0.06 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.825 0 CA-C-O 118.038 -1.423 . . . . 0.0 110.9 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.692 ' H1 ' ' CE1' ' A' ' 70' ' ' HIS . 22.0 t . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.498 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 3.6 p-10 -178.09 -29.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.564 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.5 tpt -73.84 -49.15 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.9 t -75.25 -2.83 29.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -56.49 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.567 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 6' ' ' VAL . 7.3 p -74.63 124.81 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.556 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -91.78 177.34 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.5 ' NZ ' ' OH ' ' A' ' 10' ' ' TYR . 17.0 tptp -99.14 152.03 20.32 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.127 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -154.11 145.19 22.77 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.913 0.387 . . . . 0.0 111.35 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.5 ' OH ' ' NZ ' ' A' ' 8' ' ' LYS . 46.4 m-85 -141.81 98.31 3.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.741 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' HB3' ' HE ' ' A' ' 47' ' ' ARG . 1.3 m-20 -59.38 97.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.499 HD13 HG23 ' A' ' 18' ' ' VAL . 0.9 OUTLIER -74.44 158.91 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.871 179.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -78.91 -13.96 59.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.433 ' OD2' HD23 ' A' ' 12' ' ' LEU . 8.0 p30 -84.0 11.36 7.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.55 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.58 -13.38 52.49 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.1 t -87.21 179.93 6.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.832 0.349 . . . . 0.0 110.547 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -147.51 128.58 14.59 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.932 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.499 HG23 HD13 ' A' ' 12' ' ' LEU . 1.3 t -81.45 157.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.97 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -142.45 116.89 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.444 HG12 ' HG2' ' A' ' 26' ' ' MET . 0.8 OUTLIER -106.18 142.42 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.094 0.473 . . . . 0.0 111.264 -178.486 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -84.45 -172.98 4.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.957 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -72.77 -18.66 61.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.392 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -77.64 -0.56 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.162 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.11 -15.99 35.7 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -64.32 145.34 56.19 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 53' ' ' ILE . 7.2 mtt -85.66 -177.29 6.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.048 0.452 . . . . 0.0 110.923 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.53 120.7 1.0 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.1 tpt -93.27 88.01 5.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 110.965 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -106.45 110.36 22.55 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.832 0.349 . . . . 0.0 110.324 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.794 HD21 ' H ' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -71.78 143.05 49.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.518 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -63.13 -2.71 1.42 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.283 -179.568 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.666 ' H ' HD22 ' A' ' 30' ' ' ASN . 11.7 t80 -80.64 16.26 1.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.602 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.17 20.12 76.28 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.794 ' H ' HD21 ' A' ' 30' ' ' ASN . 67.4 mttm -139.12 -178.92 5.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.437 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.6 t -106.97 169.77 8.35 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.609 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.2 mmt -142.97 112.75 6.96 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.964 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.494 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -65.9 89.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.853 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.433 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 32.3 ttm -92.59 116.07 65.87 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.778 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.04 153.06 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.887 1.725 . . . . 0.0 112.196 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -78.48 84.71 4.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.17 -14.02 0.55 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -66.46 80.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.367 0.603 . . . . 0.0 109.606 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.424 HG23 ' H ' ' A' ' 43' ' ' VAL . 17.2 t -39.05 128.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.91 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.1 mtm -111.69 136.62 50.68 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -116.32 122.6 45.37 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.738 0.304 . . . . 0.0 110.961 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 40.7 p -79.8 160.27 26.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.643 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HE ' ' HB3' ' A' ' 11' ' ' ASP . 13.4 ptp180 -55.01 -31.88 61.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.557 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.3 -4.81 44.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.206 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.19 29.54 37.03 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.7 m -86.79 116.34 24.81 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -76.65 108.61 9.78 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 pt -128.7 121.11 54.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.676 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 55' ' ' LYS . 62.5 mt -90.17 138.15 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.233 -179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.1 tpt -60.29 78.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.791 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 53' ' ' ILE . 11.7 ttmm -71.24 -66.14 0.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.568 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' H ' ' HB2' ' A' ' 26' ' ' MET . . . -70.19 58.09 0.83 Allowed Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.393 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 2.4 t-20 -56.12 -10.08 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.379 . . . . 0.0 110.277 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 56' ' ' GLY . 57.2 mt-10 -78.47 76.89 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.499 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.0 pt -73.02 -12.38 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.668 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.426 ' O ' ' OD1' ' A' ' 63' ' ' ASP . 97.6 m-85 -57.78 -29.14 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.482 ' CD ' ' N ' ' A' ' 61' ' ' ARG . 9.5 mpt_? -59.0 -50.05 75.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.427 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -55.2 -51.34 66.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.887 0.375 . . . . 0.0 110.183 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 60' ' ' PHE . 6.4 p30 -82.5 34.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -172.07 83.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.627 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 45.71 -162.61 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.582 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.446 ' O ' HD12 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -165.79 177.62 7.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.571 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -85.55 117.25 24.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -78.0 85.22 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.524 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.76 -112.26 0.01 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.692 ' CE1' ' H1 ' ' A' ' 1' ' ' VAL . 69.6 t60 55.84 67.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.594 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.508 ' OG ' ' N ' ' A' ' 72' ' ' GLU . 23.0 t -172.51 -174.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.462 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' N ' ' OG ' ' A' ' 71' ' ' SER . 63.9 mt-10 -60.28 -36.92 78.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -177.7 -96.86 0.1 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.712 0 CA-C-O 118.023 -1.431 . . . . 0.0 110.925 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_