data_2mml_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 2mml _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.471 0 N-CA-C 108.681 -1.767 . . . . 100.0 108.681 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 53.97 51.87 13.92 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.215 1.406 . . . . 100.0 111.463 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 m 73.8 -54.32 0.68 Allowed 'General case' 0 C--N 1.365 1.279 0 C-N-CA 127.783 2.433 . . . . 100.0 110.26 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.15 167.53 20.09 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 124.947 1.299 . . . . 100.0 109.065 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.62 75.19 10.32 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.873 -1.529 . . . . 100.0 106.873 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.96 39.78 26.83 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.56 2.344 . . . . 100.0 114.045 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 73.5 p 53.45 36.55 23.46 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 127.463 2.305 . . . . 100.0 115.932 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -39.1 89.31 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.007 1.323 . . . . 100.0 112.012 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.71 -44.59 90.43 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 114.304 1.224 . . . . 100.0 114.304 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 55.06 37.46 28.95 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 115.91 1.818 . . . . 100.0 115.91 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.634 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.44 20.56 18.07 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 121.049 -1.032 . . . . 100.0 111.975 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.01 57.33 5.19 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.468 1.507 . . . . 100.0 114.301 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.84 124.95 61.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 122.123 0.963 . . . . 100.0 110.918 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.87 169.31 18.37 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.017 1.327 . . . . 100.0 107.504 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.464 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.69 -39.18 90.54 Favored 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 125.64 1.576 . . . . 100.0 109.723 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.05 -74.47 0.51 Allowed 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 107.947 -1.131 . . . . 100.0 107.947 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.67 -39.45 0.08 Allowed 'General case' 0 C--N 1.368 1.376 0 N-CA-C 115.769 1.766 . . . . 100.0 115.769 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.4 -175.21 4.6 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 116.276 1.954 . . . . 100.0 116.276 -175.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.3 p -71.7 163.24 28.14 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 118.702 -2.499 . . . . 100.0 111.17 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.492 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.55 -23.74 67.15 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 113.085 0.772 . . . . 100.0 113.085 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.47 -42.01 98.58 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 107.847 -1.168 . . . . 100.0 107.847 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.22 9.85 38.2 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 124.705 1.202 . . . . 100.0 112.197 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.492 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.83 -43.05 94.04 Favored Pre-proline 0 C--N 1.362 1.125 0 CA-C-O 115.803 -2.046 . . . . 100.0 111.902 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.17 -37.79 81.07 Favored 'Trans proline' 0 C--N 1.381 2.259 0 CA-C-N 122.788 2.031 . . . . 100.0 111.588 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 -45.12 90.94 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 124.319 1.047 . . . . 100.0 109.8 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.4 m -62.14 -42.02 98.83 Favored 'General case' 0 CA--C 1.5 -0.961 0 C-N-CA 124.769 1.228 . . . . 100.0 110.814 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.464 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.69 -44.6 93.21 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.718 0.807 . . . . 100.0 110.215 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.82 94.97 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 123.734 0.814 . . . . 100.0 112.25 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.77 -51.89 67.42 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 114.396 1.258 . . . . 100.0 114.396 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -99.64 -25.58 14.36 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 114.022 1.119 . . . . 100.0 114.022 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 74.12 -52.98 0.69 Allowed 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 126.325 1.85 . . . . 100.0 113.659 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.5 ttm105 -62.46 -65.38 0.7 Allowed 'General case' 0 C--N 1.363 1.173 0 CA-C-N 119.321 0.964 . . . . 100.0 109.907 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 72.9 m-80 47.99 44.23 18.52 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 116.063 1.875 . . . . 100.0 116.063 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.632 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.51 21.85 78.19 Favored Glycine 0 C--N 1.354 1.544 0 N-CA-C 112.035 -0.426 . . . . 100.0 112.035 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 56.81 41.24 28.35 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 127.34 2.256 . . . . 100.0 113.07 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.15 -45.75 93.36 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.673 1.989 . . . . 100.0 108.149 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.2 mt -94.07 114.7 26.91 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 104.697 -2.334 . . . . 100.0 104.697 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.68 -37.01 86.12 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 126.164 1.786 . . . . 100.0 112.453 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -60.22 -24.67 65.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 126.294 1.838 . . . . 100.0 115.092 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -60.44 -43.71 96.55 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.522 1.529 . . . . 100.0 111.916 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.42 137.19 55.72 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.864 0.84 . . . . 100.0 111.517 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.86 -42.25 99.68 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.971 1.708 . . . . 100.0 112.068 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -86.89 -1.76 58.07 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.881 0.872 . . . . 100.0 111.308 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.4 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 89.8 t90 75.52 -44.77 0.53 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.25 3.02 . . . . 100.0 109.954 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -87.4 107.45 15.08 Favored Pre-proline 0 N--CA 1.439 -1.013 0 N-CA-C 106.576 -1.639 . . . . 100.0 106.576 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 30.3 Cg_endo -81.99 165.03 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.436 0 C-N-CA 123.971 3.114 . . . . 100.0 112.628 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -65.48 -42.24 92.43 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 108.698 -0.853 . . . . 100.0 108.698 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -107.42 102.16 11.46 Favored 'General case' 0 C--N 1.362 1.138 0 N-CA-C 107.225 -1.398 . . . . 100.0 107.225 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.29 -40.76 74.09 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 115.245 -0.889 . . . . 100.0 113.169 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 CA--C 1.489 -1.377 0 N-CA-C 114.994 1.479 . . . . 100.0 114.994 -177.309 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.632 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.2 t70 . . . . . 0 N--CA 1.438 -1.029 0 N-CA-C 108.758 -0.83 . . . . 100.0 108.758 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.27 -100.58 2.66 Favored Glycine 0 CA--C 1.49 -1.479 0 N-CA-C 104.891 -3.284 . . . . 100.0 104.891 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -114.96 102.27 9.8 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 107.512 -1.292 . . . . 100.0 107.512 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 51.59 40.76 27.83 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.023 2.129 . . . . 100.0 112.581 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -65.34 -42.44 92.89 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 122.647 0.379 . . . . 100.0 111.893 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.4 p -73.02 147.24 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-O 121.623 0.725 . . . . 100.0 110.231 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.437 ' CD1' HD12 ' A' ' 62' ' ' LEU . 38.4 m-85 53.34 45.94 27.39 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 126.992 2.117 . . . . 100.0 111.653 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.55 -44.62 92.52 Favored Pre-proline 0 N--CA 1.44 -0.961 0 CA-C-O 116.979 -1.486 . . . . 100.0 109.807 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -69.32 150.0 70.36 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 121.921 1.747 . . . . 100.0 108.305 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.82 130.91 44.69 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 123.565 0.54 . . . . 100.0 111.062 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 58' ' ' PHE . 84.1 mt -116.39 -54.17 2.48 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 107.374 -1.343 . . . . 100.0 107.374 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -125.21 149.5 47.9 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 124.126 0.971 . . . . 100.0 108.755 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.0 mtm -63.64 -41.93 98.2 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.92 1.288 . . . . 100.0 110.379 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.76 128.47 34.81 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 105.483 -2.043 . . . . 100.0 105.483 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -96.64 110.68 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-O 122.582 1.182 . . . . 100.0 107.934 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.1 t -128.04 132.76 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 1 N-CA-C 99.856 -4.127 . . . . 100.0 99.856 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.38 -42.35 96.19 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 109.113 -0.699 . . . . 100.0 109.113 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -95.16 98.53 10.7 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 106.913 -1.514 . . . . 100.0 106.913 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -132.62 140.31 48.15 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 105.038 -2.208 . . . . 100.0 105.038 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 . . . . . 0 C--O 1.26 1.654 0 N-CA-C 105.001 -2.222 . . . . 100.0 105.001 178.912 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.476 0 N-CA-C 108.647 -1.781 . . . . 100.0 108.647 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 54.01 51.82 13.97 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 125.151 1.38 . . . . 100.0 111.461 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.38 0.68 Allowed 'General case' 0 C--N 1.364 1.234 0 C-N-CA 127.797 2.439 . . . . 100.0 110.248 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.47 20.24 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 124.924 1.29 . . . . 100.0 109.091 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.59 75.3 10.3 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 106.852 -1.536 . . . . 100.0 106.852 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.8 39.9 26.57 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.558 2.343 . . . . 100.0 114.07 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 74.2 p 53.33 36.61 23.3 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.445 2.298 . . . . 100.0 115.952 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -66.23 -39.1 89.32 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.015 1.326 . . . . 100.0 112.05 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.81 -44.52 90.82 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 114.297 1.221 . . . . 100.0 114.297 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.03 37.48 28.98 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 115.976 1.843 . . . . 100.0 115.976 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.624 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.49 20.57 18.05 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.067 -1.021 . . . . 100.0 111.942 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.94 57.38 5.19 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.515 1.526 . . . . 100.0 114.257 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.82 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.86 124.98 61.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 CA-C-O 122.123 0.963 . . . . 100.0 110.881 179.148 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.4 t -163.92 169.31 18.29 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.436 -1.32 . . . . 100.0 107.436 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.72 -39.18 90.59 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 125.667 1.587 . . . . 100.0 109.661 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.1 t60 -92.05 -74.42 0.51 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 107.966 -1.124 . . . . 100.0 107.966 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.72 -39.48 0.07 Allowed 'General case' 0 C--N 1.368 1.372 0 N-CA-C 115.774 1.768 . . . . 100.0 115.774 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.38 -175.18 4.57 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 116.299 1.963 . . . . 100.0 116.299 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.2 p -71.68 163.19 28.23 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 118.726 -2.484 . . . . 100.0 111.223 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.5 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.2 m-85 -62.54 -23.73 67.13 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 113.096 0.776 . . . . 100.0 113.096 178.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.49 -42.01 98.55 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 107.801 -1.185 . . . . 100.0 107.801 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.23 9.84 38.24 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 124.695 1.198 . . . . 100.0 112.194 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.5 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.0 t -59.92 -43.01 93.64 Favored Pre-proline 0 C--N 1.363 1.177 0 CA-C-O 115.749 -2.072 . . . . 100.0 111.852 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 -37.7 81.46 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-N 122.815 2.041 . . . . 100.0 111.623 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.86 -45.19 90.58 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 124.324 1.05 . . . . 100.0 109.778 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.4 m -62.09 -42.02 98.78 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 124.751 1.221 . . . . 100.0 110.827 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.444 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.62 -44.73 93.08 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 123.739 0.816 . . . . 100.0 110.227 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.98 95.5 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 123.845 0.858 . . . . 100.0 112.217 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.72 -51.5 69.11 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 114.423 1.268 . . . . 100.0 114.423 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.524 HE21 ' HG2' ' A' ' 69' ' ' GLU . 42.7 tt0 -98.55 -24.52 15.09 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 113.284 0.846 . . . . 100.0 113.284 -177.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 75.58 -54.23 0.63 Allowed 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 126.46 1.904 . . . . 100.0 113.739 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -63.29 -64.7 0.83 Allowed 'General case' 0 C--N 1.365 1.245 0 CA-C-N 119.535 1.061 . . . . 100.0 110.45 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 73.2 m-80 46.11 46.63 12.96 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 116.045 1.869 . . . . 100.0 116.045 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.665 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.09 22.19 76.93 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 112.414 -0.274 . . . . 100.0 112.414 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 56.65 39.44 29.77 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 126.863 2.065 . . . . 100.0 113.49 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -62.89 -42.99 99.97 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 124.821 1.248 . . . . 100.0 107.738 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.8 mt -92.15 114.21 26.69 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 105.22 -2.141 . . . . 100.0 105.22 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.98 -36.79 85.52 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.111 1.364 . . . . 100.0 113.399 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.39 -29.25 63.92 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 126.468 1.907 . . . . 100.0 114.592 -177.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.86 -42.12 92.98 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.274 1.03 . . . . 100.0 112.086 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.38 136.05 47.57 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.804 0.812 . . . . 100.0 111.343 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.86 -39.68 94.77 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.073 1.349 . . . . 100.0 112.298 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.31 0.22 49.96 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 123.557 0.743 . . . . 100.0 112.248 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 75.76 -49.05 0.61 Allowed 'General case' 0 C--N 1.368 1.392 0 C-N-CA 126.423 1.889 . . . . 100.0 111.638 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -96.55 111.58 57.49 Favored Pre-proline 0 N--CA 1.435 -1.216 0 N-CA-C 106.672 -1.603 . . . . 100.0 106.672 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -81.28 170.74 14.52 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 125.002 3.801 . . . . 100.0 113.063 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -62.1 -44.84 95.78 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.885 -0.783 . . . . 100.0 108.885 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -110.03 104.96 13.92 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 108.194 -1.039 . . . . 100.0 108.194 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.7 tp -70.34 -40.8 73.91 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 123.856 0.862 . . . . 100.0 111.534 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 CA--C 1.49 -1.347 0 N-CA-C 116.342 1.979 . . . . 100.0 116.342 -177.569 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.665 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 16.4 t70 . . . . . 0 N--CA 1.44 -0.956 0 N-CA-C 108.097 -1.075 . . . . 100.0 108.097 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.77 -100.61 2.66 Favored Glycine 0 CA--C 1.487 -1.684 0 N-CA-C 104.641 -3.384 . . . . 100.0 104.641 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -118.31 101.16 7.98 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.671 -1.603 . . . . 100.0 106.671 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 52.82 40.62 30.99 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.779 2.031 . . . . 100.0 113.214 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -66.04 -40.77 91.27 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 116.175 -0.466 . . . . 100.0 111.221 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.402 HG21 ' CD2' ' A' ' 58' ' ' PHE . 8.2 p -71.8 144.89 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 C-N-CA 123.518 0.727 . . . . 100.0 110.278 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.402 ' CD2' HG21 ' A' ' 57' ' ' VAL 0.338 94.1 m-85 52.6 48.06 23.35 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 126.012 1.725 . . . . 100.0 113.722 -178.743 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.76 -45.94 92.92 Favored Pre-proline 0 C--N 1.357 0.925 0 CA-C-O 116.87 -1.538 . . . . 100.0 109.024 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.23 158.23 52.24 Favored 'Trans proline' 0 C--N 1.387 2.586 0 C-N-CA 122.099 1.866 . . . . 100.0 109.158 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.06 131.67 49.37 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 121.709 0.766 . . . . 100.0 110.167 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.4 tp -120.31 -58.78 1.83 Allowed 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 106.01 -1.848 . . . . 100.0 106.01 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -130.52 150.72 51.6 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 107.883 -1.154 . . . . 100.0 107.883 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.6 mmm -64.35 -40.87 96.72 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 124.231 1.012 . . . . 100.0 110.801 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -85.69 129.08 34.92 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 105.207 -2.146 . . . . 100.0 105.207 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -99.36 108.51 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 CA-C-O 122.424 1.107 . . . . 100.0 108.027 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.6 t -130.68 134.8 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 100.577 -3.86 . . . . 100.0 100.577 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -64.04 -42.35 97.09 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 109.017 -0.735 . . . . 100.0 109.017 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.524 ' HG2' HE21 ' A' ' 30' ' ' GLN . 73.3 mt-10 -86.7 81.16 8.31 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.549 0.69 . . . . 100.0 109.459 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.4 m -129.78 131.05 46.09 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 105.914 -1.884 . . . . 100.0 105.914 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--O 1.258 1.548 0 N-CA-C 105.489 -2.041 . . . . 100.0 105.489 178.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.523 0 N-CA-C 108.649 -1.78 . . . . 100.0 108.649 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 53.91 51.92 13.89 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.188 1.395 . . . . 100.0 111.46 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.3 m 73.73 -54.35 0.68 Allowed 'General case' 0 C--N 1.366 1.285 0 C-N-CA 127.796 2.438 . . . . 100.0 110.255 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 167.51 20.1 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.945 1.298 . . . . 100.0 109.111 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.58 75.25 10.3 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.89 -1.522 . . . . 100.0 106.89 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.88 39.77 26.58 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 127.567 2.347 . . . . 100.0 114.089 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 74.2 p 53.42 36.61 23.52 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 127.469 2.308 . . . . 100.0 115.916 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -66.19 -39.14 89.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.061 1.344 . . . . 100.0 112.047 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.87 -44.4 91.06 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 114.304 1.224 . . . . 100.0 114.304 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 54.92 37.56 28.95 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 115.942 1.83 . . . . 100.0 115.942 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.626 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.47 20.53 18.1 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 121.049 -1.032 . . . . 100.0 111.916 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.03 57.32 5.18 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.5 1.52 . . . . 100.0 114.279 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.816 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.82 124.92 61.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 122.087 0.946 . . . . 100.0 110.891 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.9 169.3 18.33 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.474 -1.306 . . . . 100.0 107.474 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.66 -39.2 90.51 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.647 1.579 . . . . 100.0 109.719 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.1 t60 -92.04 -74.46 0.51 Allowed 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 107.955 -1.128 . . . . 100.0 107.955 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.65 -39.46 0.08 Allowed 'General case' 0 C--N 1.368 1.381 0 N-CA-C 115.85 1.796 . . . . 100.0 115.85 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.42 -175.21 4.6 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 116.272 1.953 . . . . 100.0 116.272 -175.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.3 p -71.62 163.19 28.22 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 118.658 -2.526 . . . . 100.0 111.242 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.501 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.5 -23.74 67.11 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 113.117 0.784 . . . . 100.0 113.117 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.48 -42.05 98.58 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 107.83 -1.174 . . . . 100.0 107.83 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.21 9.84 38.23 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 124.704 1.202 . . . . 100.0 112.181 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.501 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.2 t -59.83 -43.05 94.07 Favored Pre-proline 0 C--N 1.362 1.151 0 CA-C-O 115.816 -2.04 . . . . 100.0 111.916 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.21 -37.69 81.4 Favored 'Trans proline' 0 C--N 1.381 2.239 0 CA-C-N 122.77 2.025 . . . . 100.0 111.604 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.87 -45.18 90.6 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 124.333 1.053 . . . . 100.0 109.755 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.14 -42.05 98.87 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 124.757 1.223 . . . . 100.0 110.806 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.438 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.56 -44.71 93.37 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 123.734 0.814 . . . . 100.0 110.219 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.96 95.39 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 123.841 0.856 . . . . 100.0 112.234 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.65 -51.53 68.98 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 114.433 1.271 . . . . 100.0 114.433 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.471 HE21 ' HG2' ' A' ' 69' ' ' GLU . 40.8 tt0 -100.56 -23.42 14.69 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 119.068 -1.053 . . . . 100.0 113.524 -177.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 74.56 -54.79 0.67 Allowed 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 125.506 1.522 . . . . 100.0 114.317 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.19 -64.57 0.85 Allowed 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.211 0.914 . . . . 100.0 109.742 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 74.3 m-80 47.91 45.03 18.85 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 115.894 1.813 . . . . 100.0 115.894 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.633 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.91 20.14 78.13 Favored Glycine 0 C--N 1.353 1.507 0 N-CA-C 111.638 -0.585 . . . . 100.0 111.638 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 55.43 42.6 29.82 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 127.008 2.123 . . . . 100.0 112.463 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -61.11 -45.87 92.91 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 128.691 2.796 . . . . 100.0 107.08 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -98.07 116.8 31.03 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 105.139 -2.171 . . . . 100.0 105.139 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.74 -36.26 83.72 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.635 1.574 . . . . 100.0 112.663 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -58.51 -27.26 64.32 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 125.934 1.694 . . . . 100.0 114.894 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.59 -42.41 96.69 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 123.403 0.681 . . . . 100.0 112.538 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -72.92 134.73 44.89 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.483 0.659 . . . . 100.0 110.678 -177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.18 -39.42 94.59 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 124.543 1.137 . . . . 100.0 112.413 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.68 -2.94 48.81 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.05 1.34 . . . . 100.0 111.783 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 75.39 -49.42 0.63 Allowed 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.316 2.647 . . . . 100.0 110.681 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -92.85 112.23 54.91 Favored Pre-proline 0 N--CA 1.437 -1.095 0 N-CA-C 107.269 -1.382 . . . . 100.0 107.269 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -82.72 172.15 11.41 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 124.972 3.781 . . . . 100.0 112.36 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -62.91 -44.39 96.21 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 123.509 0.724 . . . . 100.0 109.311 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -109.14 104.31 13.46 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 107.628 -1.249 . . . . 100.0 107.628 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.57 -40.58 73.22 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.269 -0.878 . . . . 100.0 111.424 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 CA--C 1.49 -1.358 0 N-CA-C 115.717 1.747 . . . . 100.0 115.717 -177.532 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.633 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.4 t70 . . . . . 0 N--CA 1.441 -0.883 0 N-CA-C 108.725 -0.842 . . . . 100.0 108.725 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.94 -98.85 2.56 Favored Glycine 0 CA--C 1.49 -1.531 0 N-CA-C 105.065 -3.214 . . . . 100.0 105.065 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -118.48 102.8 9.19 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 106.916 -1.513 . . . . 100.0 106.916 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 52.93 38.37 26.85 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 126.972 2.109 . . . . 100.0 112.554 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -65.63 -42.02 91.98 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 112.491 0.552 . . . . 100.0 112.491 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 p -72.82 151.77 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.187 0 CA-C-O 121.38 0.61 . . . . 100.0 110.686 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 53.77 47.23 24.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 127.407 2.283 . . . . 100.0 110.335 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.97 -46.53 96.71 Favored Pre-proline 0 C--N 1.36 1.029 0 CA-C-O 116.523 -1.703 . . . . 100.0 109.414 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.92 146.98 54.39 Favored 'Trans proline' 0 C--N 1.383 2.356 0 CA-C-N 122.315 1.862 . . . . 100.0 107.843 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -71.42 131.87 43.97 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 112.618 0.599 . . . . 100.0 112.618 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.8 mt -115.32 -49.72 2.76 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 107.782 -1.192 . . . . 100.0 107.782 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -120.87 145.35 47.73 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.326 -0.99 . . . . 100.0 108.326 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.9 mtp -64.18 -41.99 96.88 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.384 1.074 . . . . 100.0 110.462 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -83.51 131.28 35.01 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 106.746 -1.576 . . . . 100.0 106.746 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.33 109.85 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 108.235 -1.024 . . . . 100.0 108.235 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.7 t -130.2 133.37 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 1 N-CA-C 100.045 -4.057 . . . . 100.0 100.045 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -64.72 -40.86 96.05 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 108.53 -0.915 . . . . 100.0 108.53 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.471 ' HG2' HE21 ' A' ' 30' ' ' GLN . 83.1 mt-10 -85.19 90.79 7.97 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.338 -1.356 . . . . 100.0 107.338 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.5 m -113.09 127.89 56.34 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 104.338 -2.467 . . . . 100.0 104.338 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.435 HE22 ' HB3' ' A' ' 69' ' ' GLU . 23.2 mp0 . . . . . 0 C--O 1.261 1.697 0 N-CA-C 107.354 -1.35 . . . . 100.0 107.354 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.497 0 N-CA-C 108.632 -1.787 . . . . 100.0 108.632 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 54.02 51.84 13.92 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 125.216 1.406 . . . . 100.0 111.444 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.35 0.68 Allowed 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.818 2.447 . . . . 100.0 110.272 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 167.5 20.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 124.935 1.294 . . . . 100.0 109.095 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.54 75.18 10.3 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.899 -1.519 . . . . 100.0 106.899 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.97 39.79 26.88 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 127.539 2.336 . . . . 100.0 114.032 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 74.3 p 53.31 36.63 23.3 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.491 2.316 . . . . 100.0 116.001 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.24 -39.1 89.3 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.038 1.335 . . . . 100.0 111.998 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.79 -44.55 90.77 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.285 1.217 . . . . 100.0 114.285 -175.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 54.99 37.52 29.04 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 115.964 1.838 . . . . 100.0 115.964 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.63 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.47 20.54 18.08 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 121.081 -1.012 . . . . 100.0 111.963 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.05 57.27 5.21 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.509 1.524 . . . . 100.0 114.275 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.815 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.77 124.9 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-O 122.055 0.931 . . . . 100.0 110.937 179.201 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.91 169.26 18.37 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.467 -1.308 . . . . 100.0 107.467 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.65 -39.23 90.63 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 125.641 1.576 . . . . 100.0 109.642 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 68.9 t60 -91.99 -74.45 0.51 Allowed 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 107.973 -1.121 . . . . 100.0 107.973 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.7 -39.51 0.07 Allowed 'General case' 0 C--N 1.368 1.383 0 N-CA-C 115.797 1.777 . . . . 100.0 115.797 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.36 -175.18 4.57 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 116.323 1.971 . . . . 100.0 116.323 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 p -71.69 163.18 28.26 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 118.681 -2.512 . . . . 100.0 111.201 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.494 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.5 m-85 -62.54 -23.63 67.08 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 113.142 0.793 . . . . 100.0 113.142 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.54 -42.02 98.44 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 107.814 -1.18 . . . . 100.0 107.814 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.25 9.88 38.15 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 124.718 1.207 . . . . 100.0 112.182 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.87 -43.06 93.94 Favored Pre-proline 0 C--N 1.362 1.124 0 CA-C-O 115.769 -2.062 . . . . 100.0 111.867 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.24 -37.69 81.15 Favored 'Trans proline' 0 C--N 1.38 2.219 0 CA-C-N 122.781 2.029 . . . . 100.0 111.565 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.89 -45.15 90.67 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 124.311 1.044 . . . . 100.0 109.743 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.14 -42.03 98.84 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.768 1.227 . . . . 100.0 110.767 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -63.64 -44.73 92.98 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.776 0.83 . . . . 100.0 110.183 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.94 95.37 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 123.811 0.845 . . . . 100.0 112.239 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.63 -49.65 76.67 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 114.41 1.263 . . . . 100.0 114.41 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -104.97 -22.76 13.07 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 116.255 1.946 . . . . 100.0 116.255 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.261 89.4 m-85 72.68 -55.57 0.67 Allowed 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 116.26 1.948 . . . . 100.0 116.26 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -64.34 -62.81 1.37 Allowed 'General case' 0 C--N 1.361 1.075 0 CA-C-N 118.998 0.817 . . . . 100.0 109.713 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . 0.262 75.5 m-80 46.02 46.82 12.74 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 116.749 2.129 . . . . 100.0 116.749 177.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.625 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.46 19.31 79.47 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 112.075 -0.41 . . . . 100.0 112.075 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.253 90.8 m-85 56.11 41.82 29.08 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 127.088 2.155 . . . . 100.0 113.911 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -61.52 -45.2 95.18 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 126.506 1.922 . . . . 100.0 108.006 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.07 113.84 25.89 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 104.424 -2.436 . . . . 100.0 104.424 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.94 -26.24 65.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.923 1.289 . . . . 100.0 111.914 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.44 -36.2 73.28 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 128.718 2.807 . . . . 100.0 112.465 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -59.97 -41.26 91.59 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.358 1.063 . . . . 100.0 112.788 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.02 133.74 48.53 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 121.748 0.785 . . . . 100.0 109.951 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.09 -39.52 94.94 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 125.096 1.358 . . . . 100.0 112.28 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -90.28 7.79 36.57 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 123.716 0.806 . . . . 100.0 112.931 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 74.57 -53.01 0.68 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 126.602 1.961 . . . . 100.0 112.653 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -95.26 112.15 57.58 Favored Pre-proline 0 C--N 1.358 0.957 0 CA-C-N 119.469 1.031 . . . . 100.0 110.599 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -81.51 171.77 13.16 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 125.012 3.808 . . . . 100.0 112.081 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.84 -43.41 98.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.91 0.756 . . . . 100.0 110.691 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -108.92 102.35 11.37 Favored 'General case' 0 CA--C 1.494 -1.198 0 N-CA-C 107.134 -1.432 . . . . 100.0 107.134 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -70.57 -40.44 73.32 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.461 -1.245 . . . . 100.0 112.435 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 N--CA 1.432 -1.354 0 N-CA-C 114.934 1.457 . . . . 100.0 114.934 -178.201 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.625 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 12.6 t70 . . . . . 0 N--CA 1.436 -1.134 0 N-CA-C 108.108 -1.071 . . . . 100.0 108.108 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.52 -100.24 2.64 Favored Glycine 0 CA--C 1.485 -1.786 0 N-CA-C 104.187 -3.565 . . . . 100.0 104.187 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -116.06 103.64 10.77 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 107.351 -1.351 . . . . 100.0 107.351 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 51.61 40.74 27.83 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 126.749 2.019 . . . . 100.0 113.368 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -65.74 -41.65 91.94 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 122.814 0.446 . . . . 100.0 111.71 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.0 p -73.59 151.53 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.145 0 C-N-CA 123.623 0.769 . . . . 100.0 109.726 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 55.06 43.86 29.0 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 126.536 1.934 . . . . 100.0 111.157 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.21 -46.26 95.62 Favored Pre-proline 0 C--N 1.361 1.105 0 CA-C-O 116.969 -1.491 . . . . 100.0 111.102 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -72.77 159.36 48.62 Favored 'Trans proline' 0 C--N 1.379 2.139 0 CA-C-N 122.114 1.791 . . . . 100.0 109.449 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -64.08 131.35 47.25 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 121.222 0.534 . . . . 100.0 111.761 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.6 tp -115.54 -59.05 2.05 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 104.295 -2.483 . . . . 100.0 104.295 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -133.51 153.49 51.6 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 123.922 0.889 . . . . 100.0 108.676 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 87.0 mtp -64.13 -41.46 97.21 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.447 0.699 . . . . 100.0 111.798 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -81.24 128.33 33.67 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 105.446 -2.057 . . . . 100.0 105.446 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -99.83 111.45 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-O 122.772 1.272 . . . . 100.0 109.284 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.06 134.51 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 N-CA-C 100.88 -3.748 . . . . 100.0 100.88 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.18 -41.75 94.29 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.691 -0.855 . . . . 100.0 108.691 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -86.49 85.01 7.3 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.255 -1.017 . . . . 100.0 108.255 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -125.01 134.7 52.48 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 106.381 -1.711 . . . . 100.0 106.381 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 . . . . . 0 C--O 1.26 1.657 0 CA-C-N 114.808 -1.087 . . . . 100.0 108.796 179.673 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.479 0 N-CA-C 108.654 -1.778 . . . . 100.0 108.654 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t 53.96 51.84 13.98 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.174 1.39 . . . . 100.0 111.468 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.7 m 73.88 -54.39 0.68 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.776 2.43 . . . . 100.0 110.264 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.17 167.53 20.1 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 124.907 1.283 . . . . 100.0 109.114 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.6 75.27 10.31 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 106.851 -1.537 . . . . 100.0 106.851 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.89 39.84 26.73 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.549 2.339 . . . . 100.0 114.043 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.262 73.7 p 53.38 36.56 23.3 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 127.464 2.306 . . . . 100.0 115.944 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -66.22 -39.08 89.33 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.035 1.334 . . . . 100.0 112.078 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.74 -44.52 90.52 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.367 1.247 . . . . 100.0 114.367 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 54.98 37.53 29.02 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.941 1.83 . . . . 100.0 115.941 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.622 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.43 20.47 18.18 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.029 -1.044 . . . . 100.0 111.962 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.09 57.26 5.19 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.456 1.502 . . . . 100.0 114.259 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.818 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.78 124.95 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-O 122.101 0.953 . . . . 100.0 110.911 179.18 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.9 169.33 18.29 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.46 -1.311 . . . . 100.0 107.46 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.18 90.54 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.642 1.577 . . . . 100.0 109.716 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.04 -74.47 0.51 Allowed 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.943 -1.132 . . . . 100.0 107.943 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -156.7 -39.44 0.07 Allowed 'General case' 0 C--N 1.368 1.382 0 N-CA-C 115.799 1.777 . . . . 100.0 115.799 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.31 -175.15 4.53 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 116.343 1.979 . . . . 100.0 116.343 -175.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.3 p -71.67 163.22 28.17 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 118.742 -2.474 . . . . 100.0 111.18 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.1 m-85 -62.6 -23.69 67.17 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 113.09 0.774 . . . . 100.0 113.09 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.53 -41.99 98.45 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.785 -1.191 . . . . 100.0 107.785 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.22 9.84 38.23 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 124.746 1.218 . . . . 100.0 112.219 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.84 -43.03 93.99 Favored Pre-proline 0 C--N 1.362 1.138 0 CA-C-O 115.827 -2.035 . . . . 100.0 111.93 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.19 -37.76 81.11 Favored 'Trans proline' 0 C--N 1.381 2.252 0 CA-C-N 122.79 2.032 . . . . 100.0 111.603 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.83 -45.16 90.81 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 124.292 1.037 . . . . 100.0 109.796 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.09 -42.08 98.85 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 124.777 1.231 . . . . 100.0 110.786 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.435 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.66 -44.65 93.17 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 123.735 0.814 . . . . 100.0 110.189 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.0 95.51 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 123.852 0.861 . . . . 100.0 112.251 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.71 -48.4 81.95 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 114.436 1.273 . . . . 100.0 114.436 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -105.02 -21.75 13.23 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 113.913 1.079 . . . . 100.0 113.913 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.289 91.4 m-85 74.38 -54.58 0.67 Allowed 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 116.239 1.94 . . . . 100.0 116.239 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -66.69 -62.53 1.4 Allowed 'General case' 0 C--N 1.36 1.055 0 CA-C-N 119.431 1.014 . . . . 100.0 110.479 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 72.6 m-80 47.81 45.24 18.49 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 114.883 1.438 . . . . 100.0 114.883 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.602 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 73.12 23.32 77.91 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-O 119.927 -0.374 . . . . 100.0 112.29 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 95.8 m-85 56.42 41.51 28.79 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.258 1.823 . . . . 100.0 112.974 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -61.07 -46.15 91.83 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.957 2.103 . . . . 100.0 106.936 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.3 mt -96.98 118.03 32.49 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 105.01 -2.219 . . . . 100.0 105.01 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.48 -24.11 64.65 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.968 1.307 . . . . 100.0 111.676 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -57.9 -35.66 71.35 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 128.756 2.822 . . . . 100.0 112.209 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.97 -43.31 91.34 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.266 1.426 . . . . 100.0 113.036 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.52 136.37 49.32 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.336 0.588 . . . . 100.0 110.543 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -62.8 -41.08 99.13 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 124.492 1.117 . . . . 100.0 112.455 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -88.95 4.13 49.14 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.331 0.652 . . . . 100.0 112.008 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.7 t90 74.06 -45.02 0.58 Allowed 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.969 2.508 . . . . 100.0 112.61 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -91.62 109.28 35.43 Favored Pre-proline 0 C--N 1.359 1.003 0 N-CA-C 106.338 -1.727 . . . . 100.0 106.338 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -81.59 168.19 16.38 Favored 'Trans proline' 0 C--N 1.365 1.446 0 C-N-CA 124.813 3.675 . . . . 100.0 114.608 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -64.33 -44.49 91.34 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 124.166 0.916 . . . . 100.0 109.638 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 81.4 mm-40 -109.27 101.43 10.44 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 105.275 -2.12 . . . . 100.0 105.275 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.7 tp -70.1 -39.95 75.23 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.813 1.245 . . . . 100.0 112.52 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 CA--C 1.494 -1.191 0 N-CA-C 115.782 1.771 . . . . 100.0 115.782 -178.128 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.602 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 14.7 t70 . . . . . 0 N--CA 1.439 -1.018 0 N-CA-C 108.252 -1.018 . . . . 100.0 108.252 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.42 -98.8 2.57 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 104.18 -3.568 . . . . 100.0 104.18 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -115.78 103.53 10.75 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 105.983 -1.858 . . . . 100.0 105.983 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 51.79 41.01 28.91 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.725 1.61 . . . . 100.0 114.419 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -67.18 -41.69 85.48 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.395 -0.816 . . . . 100.0 111.896 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.0 150.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 C-N-CA 123.786 0.834 . . . . 100.0 109.912 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 54.13 47.48 23.12 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 125.452 1.501 . . . . 100.0 111.19 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.14 -45.02 95.78 Favored Pre-proline 0 N--CA 1.44 -0.958 0 CA-C-O 117.19 -1.386 . . . . 100.0 109.713 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -71.89 156.83 56.07 Favored 'Trans proline' 0 C--N 1.383 2.351 0 C-N-CA 121.906 1.737 . . . . 100.0 109.077 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.06 130.92 44.69 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 109.226 -0.657 . . . . 100.0 109.226 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.3 tp -119.63 -54.95 2.14 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 106.925 -1.509 . . . . 100.0 106.925 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -128.22 154.92 45.31 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 108.207 -1.035 . . . . 100.0 108.207 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.3 mtp -63.0 -42.83 99.95 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 124.709 1.203 . . . . 100.0 111.232 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -88.69 129.93 35.42 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 105.768 -1.938 . . . . 100.0 105.768 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.94 107.18 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 N-CA-C 106.269 -1.752 . . . . 100.0 106.269 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.04 135.56 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 N-CA-C 100.477 -3.898 . . . . 100.0 100.477 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -65.27 -41.98 93.68 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.008 -1.108 . . . . 100.0 108.008 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -86.14 89.35 7.8 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 122.002 0.906 . . . . 100.0 108.87 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -130.64 138.9 50.31 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 103.488 -2.782 . . . . 100.0 103.488 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.261 1.676 0 N-CA-C 105.609 -1.996 . . . . 100.0 105.609 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.517 0 N-CA-C 108.647 -1.781 . . . . 100.0 108.647 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t 53.98 51.83 13.98 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.2 1.4 . . . . 100.0 111.506 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m 73.81 -54.36 0.68 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.833 2.453 . . . . 100.0 110.248 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.11 167.52 20.07 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.896 1.278 . . . . 100.0 109.114 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.55 75.19 10.3 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.898 -1.519 . . . . 100.0 106.898 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.88 39.81 26.63 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.566 2.346 . . . . 100.0 114.084 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 72.7 p 53.38 36.62 23.45 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 127.486 2.314 . . . . 100.0 115.962 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -66.25 -39.08 89.26 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.029 1.332 . . . . 100.0 111.999 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.82 -44.47 90.87 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 114.33 1.233 . . . . 100.0 114.33 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 54.99 37.51 29.0 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 115.911 1.819 . . . . 100.0 115.911 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.628 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.42 20.49 18.16 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 121.049 -1.032 . . . . 100.0 111.982 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.97 57.37 5.17 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.487 1.515 . . . . 100.0 114.3 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.818 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.88 125.01 61.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 CA-C-O 122.126 0.965 . . . . 100.0 110.866 179.197 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.98 169.24 18.29 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.459 -1.311 . . . . 100.0 107.459 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.68 -39.13 90.35 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 125.632 1.573 . . . . 100.0 109.704 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.08 -74.36 0.52 Allowed 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 108.021 -1.103 . . . . 100.0 108.021 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -156.73 -39.53 0.07 Allowed 'General case' 0 C--N 1.367 1.37 0 N-CA-C 115.811 1.782 . . . . 100.0 115.811 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.32 -175.14 4.52 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 116.365 1.987 . . . . 100.0 116.365 -175.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.1 p -71.74 163.2 28.23 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 118.718 -2.489 . . . . 100.0 111.167 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.496 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.5 -23.75 67.11 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 113.102 0.778 . . . . 100.0 113.102 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.45 -42.03 98.65 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 107.845 -1.169 . . . . 100.0 107.845 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -95.24 9.85 38.22 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.706 1.203 . . . . 100.0 112.167 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.83 -43.05 94.05 Favored Pre-proline 0 C--N 1.362 1.142 0 CA-C-O 115.798 -2.049 . . . . 100.0 111.933 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.18 -37.73 81.43 Favored 'Trans proline' 0 C--N 1.38 2.229 0 CA-C-N 122.782 2.029 . . . . 100.0 111.554 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.91 -45.2 90.37 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.301 1.04 . . . . 100.0 109.706 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.08 -42.06 98.82 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 124.787 1.235 . . . . 100.0 110.777 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.441 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.59 -44.76 93.1 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.765 0.826 . . . . 100.0 110.183 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.94 95.4 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 123.753 0.821 . . . . 100.0 112.286 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.7 -50.93 71.5 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 114.409 1.263 . . . . 100.0 114.409 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -101.49 -23.62 14.29 Favored 'General case' 0 C--N 1.366 1.316 0 N-CA-C 113.756 1.021 . . . . 100.0 113.756 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 74.62 -54.93 0.66 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 126.539 1.936 . . . . 100.0 114.264 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -65.55 -62.41 1.53 Allowed 'General case' 0 C--N 1.366 1.291 0 CA-C-N 119.715 1.143 . . . . 100.0 110.97 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.441 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 65.8 m-80 48.64 44.61 21.33 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 115.744 1.757 . . . . 100.0 115.744 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.583 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.91 20.6 79.38 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.144 -0.782 . . . . 100.0 111.144 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 55.62 41.79 30.21 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 127.307 2.243 . . . . 100.0 113.753 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -60.54 -46.02 91.73 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 127.57 2.348 . . . . 100.0 108.302 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.66 113.21 24.9 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 104.396 -2.446 . . . . 100.0 104.396 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.18 -34.96 79.62 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 125.643 1.577 . . . . 100.0 112.919 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.1 -25.32 63.71 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.778 2.031 . . . . 100.0 113.399 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.5 -42.44 96.37 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.26 1.024 . . . . 100.0 111.489 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.91 134.34 44.75 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.825 0.821 . . . . 100.0 110.799 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.44 -39.03 93.39 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 125.139 1.376 . . . . 100.0 112.41 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -86.34 2.81 46.08 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.999 0.92 . . . . 100.0 112.18 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 75.97 -49.74 0.6 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.117 2.567 . . . . 100.0 111.161 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -96.95 111.25 57.15 Favored Pre-proline 0 N--CA 1.438 -1.032 0 CA-C-N 118.945 0.793 . . . . 100.0 109.775 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -82.52 173.91 10.18 Favored 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 124.876 3.717 . . . . 100.0 112.068 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.36 -43.56 98.54 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 123.985 0.914 . . . . 100.0 111.037 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -107.41 101.91 11.23 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.908 -1.515 . . . . 100.0 106.908 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.85 -39.52 72.89 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 112.939 0.718 . . . . 100.0 112.939 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 N--CA 1.437 -1.084 0 C-N-CA 125.474 1.51 . . . . 100.0 113.97 -178.064 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.583 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 11.5 t70 . . . . . 0 N--CA 1.441 -0.913 0 CA-C-O 121.543 0.687 . . . . 100.0 109.754 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.49 -99.19 2.56 Favored Glycine 0 CA--C 1.487 -1.662 0 N-CA-C 104.014 -3.634 . . . . 100.0 104.014 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -118.32 102.15 8.74 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 107.433 -1.321 . . . . 100.0 107.433 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 52.77 40.22 30.11 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 126.546 1.939 . . . . 100.0 112.642 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.77 -41.14 92.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 122.659 0.384 . . . . 100.0 111.67 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.27 150.35 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 123.166 0.586 . . . . 100.0 109.432 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 55.07 47.17 22.57 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.957 1.703 . . . . 100.0 112.363 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.95 -47.81 94.46 Favored Pre-proline 0 C--N 1.359 0.99 0 CA-C-O 116.805 -1.569 . . . . 100.0 109.912 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.87 155.85 53.08 Favored 'Trans proline' 0 C--N 1.379 2.184 0 CA-C-N 122.277 1.849 . . . . 100.0 109.166 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -67.44 131.58 45.96 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 121.428 0.632 . . . . 100.0 110.485 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.4 tp -115.56 -55.92 2.39 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.384 -1.71 . . . . 100.0 106.384 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -129.15 151.0 50.29 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 107.43 -1.322 . . . . 100.0 107.43 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.7 mmm -64.78 -40.21 94.87 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 123.616 0.766 . . . . 100.0 111.298 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -81.26 124.79 29.61 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 105.006 -2.22 . . . . 100.0 105.006 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.6 109.55 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 108.029 -1.1 . . . . 100.0 108.029 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.04 137.09 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 100.739 -3.8 . . . . 100.0 100.739 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -64.9 -42.01 95.11 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.625 -0.88 . . . . 100.0 108.625 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -85.68 84.73 7.5 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.148 -0.686 . . . . 100.0 109.148 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -125.03 134.26 52.62 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 105.246 -2.131 . . . . 100.0 105.246 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 . . . . . 0 C--O 1.261 1.7 0 N-CA-C 104.683 -2.34 . . . . 100.0 104.683 178.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.495 0 N-CA-C 108.622 -1.791 . . . . 100.0 108.622 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 54.02 51.8 13.99 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.223 1.409 . . . . 100.0 111.492 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.32 0.68 Allowed 'General case' 0 C--N 1.366 1.284 0 C-N-CA 127.8 2.44 . . . . 100.0 110.253 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.54 20.11 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 124.938 1.295 . . . . 100.0 109.078 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.58 75.17 10.31 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.849 -1.537 . . . . 100.0 106.849 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.93 39.85 26.9 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.576 2.351 . . . . 100.0 114.005 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 74.7 p 53.37 36.6 23.37 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 127.475 2.31 . . . . 100.0 115.93 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -39.11 89.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.044 1.338 . . . . 100.0 112.018 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.83 -44.5 90.93 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.289 1.218 . . . . 100.0 114.289 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.0 37.51 29.03 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 115.967 1.839 . . . . 100.0 115.967 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.635 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.45 20.47 18.17 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 121.012 -1.055 . . . . 100.0 111.937 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.05 57.3 5.18 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.499 1.52 . . . . 100.0 114.298 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.818 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.8 124.9 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 122.078 0.942 . . . . 100.0 110.947 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.86 169.29 18.41 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.982 1.313 . . . . 100.0 107.46 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.16 90.5 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 125.638 1.575 . . . . 100.0 109.726 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.04 -74.4 0.51 Allowed 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 108.012 -1.107 . . . . 100.0 108.012 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.4 p -156.71 -39.48 0.07 Allowed 'General case' 0 C--N 1.367 1.366 0 N-CA-C 115.821 1.786 . . . . 100.0 115.821 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.35 -175.16 4.55 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 116.368 1.988 . . . . 100.0 116.368 -175.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.6 p -71.69 163.24 28.15 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 118.72 -2.487 . . . . 100.0 111.232 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.57 -23.7 67.15 Favored 'General case' 0 C--N 1.358 0.97 0 N-CA-C 113.118 0.784 . . . . 100.0 113.118 178.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.5 -42.05 98.53 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.8 -1.185 . . . . 100.0 107.8 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.19 9.89 38.0 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.684 1.194 . . . . 100.0 112.223 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.495 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.85 -43.07 94.01 Favored Pre-proline 0 C--N 1.362 1.134 0 CA-C-O 115.845 -2.026 . . . . 100.0 111.922 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.14 -37.77 81.47 Favored 'Trans proline' 0 C--N 1.381 2.272 0 CA-C-N 122.748 2.017 . . . . 100.0 111.619 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 -45.12 90.95 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.27 1.028 . . . . 100.0 109.812 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.1 m -62.16 -42.02 98.87 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.74 1.216 . . . . 100.0 110.747 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.404 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.63 -44.68 93.18 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 123.76 0.824 . . . . 100.0 110.193 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.87 95.13 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 123.746 0.818 . . . . 100.0 112.274 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.73 -51.24 70.18 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 114.38 1.252 . . . . 100.0 114.38 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -100.41 -26.32 13.91 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 119.078 -1.049 . . . . 100.0 113.831 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 74.82 -52.99 0.68 Allowed 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 125.728 1.611 . . . . 100.0 113.571 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -63.87 -63.33 1.19 Allowed 'General case' 0 C--N 1.363 1.169 0 CA-C-N 119.582 1.083 . . . . 100.0 110.374 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 56.1 m-80 49.05 43.82 22.39 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.459 1.504 . . . . 100.0 114.678 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.59 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.27 21.92 76.97 Favored Glycine 0 C--N 1.355 1.603 0 O-C-N 122.078 -0.389 . . . . 100.0 112.151 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 57.06 39.08 29.44 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.737 2.015 . . . . 100.0 112.913 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -62.31 -43.82 97.95 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.631 1.572 . . . . 100.0 107.975 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.4 mt -92.77 114.53 27.11 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.896 -2.261 . . . . 100.0 104.896 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.64 -36.48 84.41 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.755 1.622 . . . . 100.0 112.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.54 -23.44 64.59 Favored 'General case' 0 CA--C 1.504 -0.825 0 C-N-CA 126.142 1.777 . . . . 100.0 115.082 -177.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -60.12 -43.77 95.37 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.888 1.275 . . . . 100.0 111.678 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.52 136.37 45.86 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 121.701 0.763 . . . . 100.0 110.815 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.55 -39.71 95.13 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 124.72 1.208 . . . . 100.0 112.62 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -85.84 -1.43 57.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.525 0.73 . . . . 100.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 92.3 t90 73.81 -40.24 0.45 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.06 2.944 . . . . 100.0 112.116 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -91.29 107.14 19.33 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 105.382 -2.081 . . . . 100.0 105.382 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -81.56 168.02 16.56 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 124.531 3.487 . . . . 100.0 114.341 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -63.93 -44.7 92.09 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 124.631 1.173 . . . . 100.0 109.296 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -111.34 105.31 13.91 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 105.501 -2.037 . . . . 100.0 105.501 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.0 -41.5 74.27 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 113.411 0.893 . . . . 100.0 113.411 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 CA--C 1.489 -1.404 0 N-CA-C 116.146 1.906 . . . . 100.0 116.146 -176.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.59 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 19.6 t70 . . . . . 0 N--CA 1.439 -1.006 0 N-CA-C 107.609 -1.256 . . . . 100.0 107.609 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.5 -98.97 2.5 Favored Glycine 0 CA--C 1.484 -1.879 0 N-CA-C 104.048 -3.621 . . . . 100.0 104.048 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -119.06 102.24 8.6 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 106.871 -1.529 . . . . 100.0 106.871 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 52.5 39.03 27.1 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 127.244 2.218 . . . . 100.0 113.009 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.29 -41.18 90.17 Favored 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 123.33 0.652 . . . . 100.0 111.503 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.03 147.16 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 C-N-CA 123.48 0.712 . . . . 100.0 110.227 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.417 ' CD1' HD12 ' A' ' 62' ' ' LEU . 49.6 m-85 53.51 48.45 21.73 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 126.867 2.067 . . . . 100.0 112.142 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.26 -44.55 93.66 Favored Pre-proline 0 C--N 1.357 0.91 0 CA-C-O 116.698 -1.62 . . . . 100.0 109.208 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.87 151.21 78.54 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.007 1.805 . . . . 100.0 109.252 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.31 132.22 47.29 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.647 0.592 . . . . 100.0 110.436 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.417 HD12 ' CD1' ' A' ' 58' ' ' PHE . 85.0 mt -114.82 -55.11 2.52 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.605 -1.628 . . . . 100.0 106.605 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -130.99 153.4 49.26 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.358 -1.349 . . . . 100.0 107.358 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.3 mtp -63.37 -42.09 98.85 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.421 1.088 . . . . 100.0 111.3 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -82.97 130.1 35.1 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 106.483 -1.673 . . . . 100.0 106.483 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.54 108.75 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 CA-C-O 122.47 1.129 . . . . 100.0 108.435 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.0 t -128.48 133.4 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 1 N-CA-C 100.104 -4.036 . . . . 100.0 100.104 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.88 -41.26 95.78 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.338 -0.986 . . . . 100.0 108.338 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.54 88.27 7.61 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.523 -0.917 . . . . 100.0 108.523 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.3 m -122.56 132.6 54.38 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 104.397 -2.445 . . . . 100.0 104.397 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 . . . . . 0 C--O 1.263 1.765 0 N-CA-C 106.522 -1.659 . . . . 100.0 106.522 179.289 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.525 0 N-CA-C 108.664 -1.774 . . . . 100.0 108.664 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 53.94 51.86 13.97 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 125.223 1.409 . . . . 100.0 111.45 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.85 -54.41 0.68 Allowed 'General case' 0 C--N 1.365 1.273 0 C-N-CA 127.807 2.443 . . . . 100.0 110.204 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.07 167.51 20.05 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 124.895 1.278 . . . . 100.0 109.135 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.56 75.21 10.3 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 106.843 -1.54 . . . . 100.0 106.843 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.93 39.77 26.72 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.569 2.348 . . . . 100.0 114.031 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.263 74.8 p 53.47 36.54 23.45 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.407 2.283 . . . . 100.0 115.952 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -66.24 -39.07 89.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.984 1.313 . . . . 100.0 112.039 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.79 -44.51 90.75 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 114.307 1.225 . . . . 100.0 114.307 -175.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 54.96 37.53 28.98 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 115.975 1.843 . . . . 100.0 115.975 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.631 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.49 20.56 18.05 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 121.053 -1.03 . . . . 100.0 111.946 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 56.03 57.32 5.18 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.508 1.523 . . . . 100.0 114.287 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.817 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.85 124.95 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-O 122.108 0.956 . . . . 100.0 110.892 179.224 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.89 169.27 18.39 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 124.967 1.307 . . . . 100.0 107.522 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.464 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.68 -39.2 90.59 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 125.668 1.587 . . . . 100.0 109.663 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.2 t60 -92.06 -74.42 0.51 Allowed 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.944 -1.132 . . . . 100.0 107.944 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -156.71 -39.52 0.07 Allowed 'General case' 0 C--N 1.367 1.355 0 N-CA-C 115.794 1.775 . . . . 100.0 115.794 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.36 -175.18 4.56 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 116.296 1.961 . . . . 100.0 116.296 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.4 p -71.64 163.22 28.16 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 118.664 -2.522 . . . . 100.0 111.211 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.497 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.54 -23.78 67.16 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 113.06 0.763 . . . . 100.0 113.06 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.46 -41.99 98.63 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.839 -1.171 . . . . 100.0 107.839 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -95.28 9.92 38.02 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 124.682 1.193 . . . . 100.0 112.183 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.86 -43.07 93.97 Favored Pre-proline 0 C--N 1.363 1.17 0 CA-C-O 115.768 -2.063 . . . . 100.0 111.893 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.17 -37.77 81.25 Favored 'Trans proline' 0 C--N 1.379 2.176 0 CA-C-N 122.773 2.026 . . . . 100.0 111.568 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.83 -45.13 90.95 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.368 1.043 . . . . 100.0 109.82 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.18 -42.05 98.91 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.8 1.24 . . . . 100.0 110.751 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.446 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.58 -44.74 93.19 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.8 0.84 . . . . 100.0 110.178 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.89 95.16 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 123.719 0.808 . . . . 100.0 112.219 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.68 -50.38 73.74 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 114.421 1.267 . . . . 100.0 114.421 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.447 HE21 ' HG2' ' A' ' 69' ' ' GLU . 45.9 tt0 -102.65 -26.06 13.33 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 119.374 -0.931 . . . . 100.0 113.389 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.291 87.6 m-85 74.77 -52.56 0.68 Allowed 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 125.779 1.632 . . . . 100.0 114.607 -177.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -62.54 -64.25 0.98 Allowed 'General case' 0 C--N 1.36 1.047 0 CA-C-N 119.105 0.866 . . . . 100.0 110.214 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 71.4 m-80 46.96 45.76 15.54 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 115.849 1.796 . . . . 100.0 115.849 176.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.616 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.79 21.99 77.71 Favored Glycine 0 C--N 1.355 1.599 0 C-N-CA 121.513 -0.375 . . . . 100.0 112.187 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 56.51 41.18 29.04 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 126.873 2.069 . . . . 100.0 112.85 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -61.59 -44.77 96.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 127.015 2.126 . . . . 100.0 107.763 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.7 mt -96.49 116.24 28.75 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 104.958 -2.238 . . . . 100.0 104.958 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.08 -34.84 79.37 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 125.299 1.44 . . . . 100.0 113.005 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -57.59 -28.67 63.82 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 127.364 2.266 . . . . 100.0 113.256 -177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.66 -43.36 93.98 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.225 1.41 . . . . 100.0 112.567 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.23 135.74 49.29 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 121.691 0.758 . . . . 100.0 111.538 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.55 -40.61 97.37 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 125.125 1.37 . . . . 100.0 111.968 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -88.9 3.87 49.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 123.634 0.774 . . . . 100.0 112.309 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.7 t-105 75.33 -49.9 0.64 Allowed 'General case' 0 C--N 1.364 1.199 0 C-N-CA 127.416 2.286 . . . . 100.0 111.986 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -94.13 112.12 56.03 Favored Pre-proline 0 N--CA 1.436 -1.167 0 N-CA-C 107.573 -1.269 . . . . 100.0 107.573 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -81.93 169.74 14.5 Favored 'Trans proline' 0 C--N 1.362 1.272 0 C-N-CA 124.996 3.797 . . . . 100.0 112.654 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.37 -43.88 96.37 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 109.091 -0.707 . . . . 100.0 109.091 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -109.77 103.88 12.76 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.545 -0.909 . . . . 100.0 108.545 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.8 tp -70.22 -40.33 74.6 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.665 -1.152 . . . . 100.0 111.349 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 CA--C 1.489 -1.387 0 N-CA-C 115.163 1.542 . . . . 100.0 115.163 -177.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.616 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.2 t70 . . . . . 0 N--CA 1.442 -0.849 0 N-CA-C 108.203 -1.036 . . . . 100.0 108.203 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.62 -98.52 2.49 Favored Glycine 0 CA--C 1.485 -1.811 0 N-CA-C 103.562 -3.815 . . . . 100.0 103.562 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -118.75 102.76 9.07 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 107.663 -1.236 . . . . 100.0 107.663 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 52.57 39.9 28.94 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.393 2.277 . . . . 100.0 112.811 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -65.47 -42.05 92.67 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 116.333 -0.394 . . . . 100.0 111.41 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.17 156.64 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 109.378 -0.601 . . . . 100.0 109.378 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 57.04 42.94 25.25 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 126.026 1.73 . . . . 100.0 110.594 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -61.04 -47.39 95.43 Favored Pre-proline 0 C--N 1.36 1.027 0 CA-C-O 116.741 -1.6 . . . . 100.0 110.092 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -73.79 157.42 47.84 Favored 'Trans proline' 0 C--N 1.379 2.153 0 CA-C-N 122.179 1.814 . . . . 100.0 109.336 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -68.8 130.36 42.6 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.157 -1.053 . . . . 100.0 108.157 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.2 tp -118.01 -53.16 2.39 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 107.397 -1.334 . . . . 100.0 107.397 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -128.36 152.53 48.07 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.65 -1.241 . . . . 100.0 107.65 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 91.1 mmm -62.76 -43.22 99.38 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 124.643 1.177 . . . . 100.0 111.679 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -88.22 130.25 35.13 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 105.975 -1.861 . . . . 100.0 105.975 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -95.49 110.16 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-O 122.484 1.135 . . . . 100.0 108.143 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.2 t -129.73 136.19 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 100.311 -3.959 . . . . 100.0 100.311 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -63.84 -41.88 97.73 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.502 -0.925 . . . . 100.0 108.502 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HG2' HE21 ' A' ' 30' ' ' GLN . 53.9 mt-10 -87.64 93.11 9.34 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 108.621 -0.881 . . . . 100.0 108.621 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.3 m -124.52 131.62 53.48 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 104.289 -2.485 . . . . 100.0 104.289 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 . . . . . 0 C--O 1.261 1.67 0 N-CA-C 105.313 -2.106 . . . . 100.0 105.313 179.567 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.497 0 N-CA-C 108.636 -1.786 . . . . 100.0 108.636 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 54.01 51.83 13.95 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.175 1.39 . . . . 100.0 111.464 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.1 m 73.79 -54.36 0.68 Allowed 'General case' 0 C--N 1.364 1.225 0 C-N-CA 127.85 2.46 . . . . 100.0 110.219 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.11 167.5 20.11 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 124.909 1.284 . . . . 100.0 109.109 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.6 75.24 10.31 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 106.836 -1.542 . . . . 100.0 106.836 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.89 39.81 26.69 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 127.518 2.327 . . . . 100.0 114.076 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 75.0 p 53.34 36.63 23.38 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 127.412 2.285 . . . . 100.0 115.972 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -66.31 -39.04 89.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.997 1.319 . . . . 100.0 112.032 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.81 -44.51 90.81 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 114.312 1.227 . . . . 100.0 114.312 -175.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.03 37.54 29.07 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 115.94 1.83 . . . . 100.0 115.94 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.624 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.2 pt20 -109.48 20.46 18.17 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 121.061 -1.024 . . . . 100.0 111.953 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.07 57.3 5.18 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.462 1.505 . . . . 100.0 114.249 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.818 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.8 124.98 61.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 122.114 0.959 . . . . 100.0 110.875 179.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.94 169.29 18.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.442 -1.318 . . . . 100.0 107.442 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.66 -39.22 90.59 Favored 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 125.681 1.593 . . . . 100.0 109.656 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.06 -74.45 0.51 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 107.951 -1.129 . . . . 100.0 107.951 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.72 -39.53 0.07 Allowed 'General case' 0 C--N 1.367 1.34 0 N-CA-C 115.799 1.777 . . . . 100.0 115.799 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.35 -175.18 4.56 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 116.296 1.961 . . . . 100.0 116.296 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.6 p -71.63 163.18 28.24 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 118.69 -2.506 . . . . 100.0 111.186 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.501 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.54 -23.71 67.13 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 113.146 0.795 . . . . 100.0 113.146 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.46 -42.08 98.62 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 107.825 -1.176 . . . . 100.0 107.825 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.16 9.89 37.95 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 124.721 1.208 . . . . 100.0 112.208 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.501 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.0 t -59.88 -43.07 93.94 Favored Pre-proline 0 C--N 1.363 1.161 0 CA-C-O 115.792 -2.051 . . . . 100.0 111.867 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.16 -37.74 81.49 Favored 'Trans proline' 0 C--N 1.381 2.25 0 CA-C-N 122.759 2.021 . . . . 100.0 111.583 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.89 -45.13 90.75 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.293 1.037 . . . . 100.0 109.795 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.15 -41.98 98.81 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 124.724 1.21 . . . . 100.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.425 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.67 -44.7 92.99 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.772 0.829 . . . . 100.0 110.157 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.9 95.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 123.821 0.848 . . . . 100.0 112.243 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.7 -50.37 73.77 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 114.436 1.273 . . . . 100.0 114.436 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -102.82 -22.74 13.84 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 113.813 1.042 . . . . 100.0 113.813 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.305 91.8 m-85 74.48 -55.57 0.65 Allowed 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 116.321 1.971 . . . . 100.0 116.321 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -65.05 -62.79 1.34 Allowed 'General case' 0 C--N 1.363 1.194 0 CA-C-N 120.091 1.314 . . . . 100.0 110.445 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 68.1 m-80 48.24 44.75 19.9 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 115.009 1.485 . . . . 100.0 115.009 176.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.612 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.83 20.69 77.74 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 121.815 -0.553 . . . . 100.0 112.277 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 55.23 41.53 31.32 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 127.151 2.18 . . . . 100.0 113.077 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -61.26 -45.17 95.63 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.998 2.119 . . . . 100.0 107.882 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.0 mt -97.01 116.21 28.82 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 104.763 -2.31 . . . . 100.0 104.763 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.78 -38.07 89.75 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 125.731 1.613 . . . . 100.0 112.653 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.86 -23.11 64.9 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 116.406 2.002 . . . . 100.0 116.406 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -62.52 -41.0 98.56 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.889 0.768 . . . . 100.0 111.576 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.16 136.8 55.64 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.378 0.609 . . . . 100.0 110.748 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.16 -41.87 98.71 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 124.699 1.199 . . . . 100.0 112.792 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -89.11 3.11 52.93 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 123.052 0.541 . . . . 100.0 112.037 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.405 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 89.8 t90 73.52 -44.41 0.58 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.386 2.274 . . . . 100.0 112.569 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -90.22 107.06 17.11 Favored Pre-proline 0 C--N 1.357 0.926 0 N-CA-C 105.298 -2.112 . . . . 100.0 105.298 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 27.3 Cg_endo -81.47 171.32 13.67 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 124.62 3.547 . . . . 100.0 114.314 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -62.01 -46.41 89.32 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.789 1.236 . . . . 100.0 108.444 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.41 106.87 15.48 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 107.915 -1.143 . . . . 100.0 107.915 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.46 -39.76 74.09 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 123.665 0.786 . . . . 100.0 111.579 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 CA--C 1.492 -1.261 0 C-N-CA 125.598 1.559 . . . . 100.0 114.908 -177.318 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.612 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 16.4 t70 . . . . . 0 N--CA 1.441 -0.92 0 N-CA-C 108.6 -0.889 . . . . 100.0 108.6 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.73 -100.87 2.67 Favored Glycine 0 CA--C 1.487 -1.686 0 N-CA-C 104.859 -3.297 . . . . 100.0 104.859 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -116.23 100.99 8.31 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 106.708 -1.59 . . . . 100.0 106.708 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 52.25 40.12 28.39 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.045 2.138 . . . . 100.0 112.894 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -66.44 -40.76 89.68 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 123.245 0.618 . . . . 100.0 111.224 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.82 150.05 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 C-N-CA 123.994 0.918 . . . . 100.0 109.892 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 54.42 44.66 28.53 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 126.784 2.033 . . . . 100.0 110.824 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.7 -46.07 93.23 Favored Pre-proline 0 C--N 1.364 1.204 0 CA-C-O 116.644 -1.646 . . . . 100.0 108.981 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.01 151.38 67.61 Favored 'Trans proline' 0 C--N 1.386 2.53 0 CA-C-N 122.175 1.813 . . . . 100.0 107.859 176.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.99 131.08 45.65 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 121.53 0.681 . . . . 100.0 111.443 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 tp -116.99 -54.95 2.39 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 105.744 -1.947 . . . . 100.0 105.744 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -131.7 152.26 51.02 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 107.004 -1.48 . . . . 100.0 107.004 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 70.4 mtm -63.25 -42.34 99.18 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.658 1.183 . . . . 100.0 111.03 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.19 128.97 34.95 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 106.112 -1.81 . . . . 100.0 106.112 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.31 106.99 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 107.658 -1.238 . . . . 100.0 107.658 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -128.77 135.89 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 N-CA-C 100.383 -3.932 . . . . 100.0 100.383 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -64.86 -41.91 95.29 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.771 -0.581 . . . . 100.0 109.671 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -85.9 88.05 7.51 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 107.607 -1.257 . . . . 100.0 107.607 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.7 m -121.17 130.93 53.95 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 104.408 -2.441 . . . . 100.0 104.408 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 . . . . . 0 C--O 1.261 1.698 0 N-CA-C 109.183 -0.673 . . . . 100.0 109.183 -179.894 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.502 0 N-CA-C 108.635 -1.786 . . . . 100.0 108.635 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 53.95 51.85 13.98 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.217 1.407 . . . . 100.0 111.5 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 m 73.89 -54.38 0.68 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 127.766 2.426 . . . . 100.0 110.231 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.53 20.12 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 124.882 1.273 . . . . 100.0 109.108 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.56 75.2 10.3 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 106.843 -1.54 . . . . 100.0 106.843 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.87 39.87 26.74 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 127.613 2.365 . . . . 100.0 114.056 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 73.5 p 53.33 36.61 23.3 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 127.456 2.302 . . . . 100.0 116.001 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -66.22 -39.1 89.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.027 1.331 . . . . 100.0 112.035 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.87 -44.44 91.07 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.309 1.226 . . . . 100.0 114.309 -175.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 55.03 37.44 28.92 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 115.949 1.833 . . . . 100.0 115.949 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.623 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.44 20.55 18.09 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.995 -1.066 . . . . 100.0 111.925 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.03 57.29 5.2 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.48 1.512 . . . . 100.0 114.266 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.83 124.93 61.27 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-O 122.127 0.965 . . . . 100.0 110.928 179.16 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.87 169.28 18.4 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.016 1.327 . . . . 100.0 107.494 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.17 90.52 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 125.668 1.587 . . . . 100.0 109.694 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.09 -74.39 0.51 Allowed 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.958 -1.127 . . . . 100.0 107.958 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.74 -39.48 0.07 Allowed 'General case' 0 C--N 1.367 1.348 0 N-CA-C 115.836 1.791 . . . . 100.0 115.836 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.31 -175.25 4.58 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 116.338 1.977 . . . . 100.0 116.338 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.3 p -71.58 163.21 28.17 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 118.678 -2.513 . . . . 100.0 111.236 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.2 m-85 -62.6 -23.74 67.2 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 113.037 0.754 . . . . 100.0 113.037 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.45 -42.02 98.63 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 107.81 -1.181 . . . . 100.0 107.81 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.24 9.86 38.2 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 124.682 1.193 . . . . 100.0 112.158 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.85 -43.06 94.0 Favored Pre-proline 0 C--N 1.362 1.129 0 CA-C-O 115.784 -2.055 . . . . 100.0 111.928 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.21 -37.68 81.53 Favored 'Trans proline' 0 C--N 1.38 2.207 0 CA-C-N 122.76 2.021 . . . . 100.0 111.612 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.86 -45.17 90.66 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.287 1.035 . . . . 100.0 109.776 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.14 -42.01 98.83 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 124.749 1.219 . . . . 100.0 110.8 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.422 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.65 -44.7 93.07 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 123.748 0.819 . . . . 100.0 110.19 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.88 95.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 123.785 0.834 . . . . 100.0 112.261 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.73 -50.52 73.13 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 114.382 1.253 . . . . 100.0 114.382 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -102.26 -25.48 13.66 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 113.59 0.959 . . . . 100.0 113.59 -177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.311 90.8 m-85 74.58 -53.33 0.68 Allowed 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 115.45 1.648 . . . . 100.0 115.45 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 99.6 mtt180 -63.92 -62.36 1.69 Allowed 'General case' 0 C--N 1.363 1.167 0 CA-C-N 119.984 1.265 . . . . 100.0 110.17 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 59.4 m-80 48.65 42.98 20.24 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.484 1.513 . . . . 100.0 114.636 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.595 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.08 21.63 78.85 Favored Glycine 0 C--N 1.355 1.638 0 O-C-N 121.88 -0.513 . . . . 100.0 111.852 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 56.22 40.31 30.03 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 127.22 2.208 . . . . 100.0 114.265 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -62.77 -43.01 99.92 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 125.83 1.652 . . . . 100.0 107.51 177.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 tp -95.14 113.14 24.8 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 105.6 -2.0 . . . . 100.0 105.6 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.39 -36.96 85.83 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 126.469 1.908 . . . . 100.0 113.016 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.98 -32.11 65.75 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 127.541 2.336 . . . . 100.0 114.209 -176.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 66.5 t80 -59.61 -43.57 93.73 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 113.401 0.889 . . . . 100.0 113.401 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.16 136.03 55.37 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 121.691 0.758 . . . . 100.0 110.558 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.05 -42.26 98.99 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 125.056 1.342 . . . . 100.0 112.286 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.79 0.67 54.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 123.579 0.752 . . . . 100.0 111.584 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . 0.256 89.7 t90 74.24 -47.11 0.63 Allowed 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.334 2.254 . . . . 100.0 112.912 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -86.79 108.62 19.11 Favored Pre-proline 0 N--CA 1.438 -1.048 0 N-CA-C 105.792 -1.929 . . . . 100.0 105.792 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.59 164.23 21.09 Favored 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.877 3.052 . . . . 100.0 113.205 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -66.22 -41.52 89.99 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 108.299 -1.0 . . . . 100.0 108.299 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -109.63 104.76 13.82 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 106.635 -1.617 . . . . 100.0 106.635 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.42 -41.33 73.06 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 124.461 1.104 . . . . 100.0 112.968 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 CA--C 1.489 -1.4 0 N-CA-C 115.502 1.668 . . . . 100.0 115.502 -177.086 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.595 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 8.7 t70 . . . . . 0 N--CA 1.442 -0.873 0 N-CA-C 107.948 -1.13 . . . . 100.0 107.948 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.44 -101.4 2.7 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 104.161 -3.576 . . . . 100.0 104.161 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -115.47 102.92 10.26 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 106.228 -1.768 . . . . 100.0 106.228 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 52.08 41.19 29.79 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 126.645 1.978 . . . . 100.0 113.299 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -65.57 -42.06 92.19 Favored 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 122.467 0.307 . . . . 100.0 111.779 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -73.99 150.71 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-O 121.295 0.569 . . . . 100.0 109.766 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 54.59 42.56 31.21 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.795 2.038 . . . . 100.0 112.195 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.6 -44.92 88.3 Favored Pre-proline 0 C--N 1.36 1.049 0 CA-C-O 117.057 -1.449 . . . . 100.0 109.986 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -71.89 157.84 54.08 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.206 1.937 . . . . 100.0 109.026 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.21 130.3 43.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.296 0.569 . . . . 100.0 109.828 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.4 tp -117.91 -55.69 2.24 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 106.329 -1.73 . . . . 100.0 106.329 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -130.92 153.86 48.72 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 107.409 -1.33 . . . . 100.0 107.409 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.3 mtp -62.88 -41.98 99.61 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 124.113 0.965 . . . . 100.0 112.148 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -83.32 129.96 35.03 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 105.769 -1.937 . . . . 100.0 105.769 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.2 t -102.62 109.18 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 CA-C-O 122.458 1.123 . . . . 100.0 108.452 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.8 t -133.27 139.85 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 N-CA-C 101.954 -3.35 . . . . 100.0 101.954 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.62 -42.06 95.75 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 109.107 -0.701 . . . . 100.0 109.107 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -87.25 84.81 7.18 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 108.901 -0.778 . . . . 100.0 108.901 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.9 m -124.58 131.25 53.48 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 105.881 -1.896 . . . . 100.0 105.881 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.261 1.678 0 N-CA-C 106.373 -1.714 . . . . 100.0 106.373 179.753 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.471 0 N-CA-C 108.681 -1.767 . . . . 100.0 108.681 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 53.97 51.87 13.92 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.215 1.406 . . . . 100.0 111.463 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 m 73.8 -54.32 0.68 Allowed 'General case' 0 C--N 1.365 1.279 0 C-N-CA 127.783 2.433 . . . . 100.0 110.26 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.15 167.53 20.09 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 124.947 1.299 . . . . 100.0 109.065 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.62 75.19 10.32 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.873 -1.529 . . . . 100.0 106.873 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.96 39.78 26.83 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.56 2.344 . . . . 100.0 114.045 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 73.5 p 53.45 36.55 23.46 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 127.463 2.305 . . . . 100.0 115.932 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -39.1 89.31 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.007 1.323 . . . . 100.0 112.012 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.71 -44.59 90.43 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 114.304 1.224 . . . . 100.0 114.304 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 55.06 37.46 28.95 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 115.91 1.818 . . . . 100.0 115.91 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.634 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.44 20.56 18.07 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 121.049 -1.032 . . . . 100.0 111.975 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.01 57.33 5.19 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.468 1.507 . . . . 100.0 114.301 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.84 124.95 61.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 122.123 0.963 . . . . 100.0 110.918 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.87 169.31 18.37 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.017 1.327 . . . . 100.0 107.504 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.464 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.69 -39.18 90.54 Favored 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 125.64 1.576 . . . . 100.0 109.723 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.05 -74.47 0.51 Allowed 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 107.947 -1.131 . . . . 100.0 107.947 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.67 -39.45 0.08 Allowed 'General case' 0 C--N 1.368 1.376 0 N-CA-C 115.769 1.766 . . . . 100.0 115.769 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.4 -175.21 4.6 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 116.276 1.954 . . . . 100.0 116.276 -175.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.3 p -71.7 163.24 28.14 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 118.702 -2.499 . . . . 100.0 111.17 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.55 -23.74 67.15 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 113.085 0.772 . . . . 100.0 113.085 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.47 -42.01 98.58 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 107.847 -1.168 . . . . 100.0 107.847 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.22 9.85 38.2 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 124.705 1.202 . . . . 100.0 112.197 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.492 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.83 -43.05 94.04 Favored Pre-proline 0 C--N 1.362 1.125 0 CA-C-O 115.803 -2.046 . . . . 100.0 111.902 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.17 -37.79 81.07 Favored 'Trans proline' 0 C--N 1.381 2.259 0 CA-C-N 122.788 2.031 . . . . 100.0 111.588 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 -45.12 90.94 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 124.319 1.047 . . . . 100.0 109.8 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.4 m -62.14 -42.02 98.83 Favored 'General case' 0 CA--C 1.5 -0.961 0 C-N-CA 124.769 1.228 . . . . 100.0 110.814 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.464 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.69 -44.6 93.21 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.718 0.807 . . . . 100.0 110.215 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.82 94.97 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 123.734 0.814 . . . . 100.0 112.25 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.77 -51.89 67.42 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 114.396 1.258 . . . . 100.0 114.396 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -99.64 -25.58 14.36 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 114.022 1.119 . . . . 100.0 114.022 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 74.12 -52.98 0.69 Allowed 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 126.325 1.85 . . . . 100.0 113.659 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.5 ttm105 -62.46 -65.38 0.7 Allowed 'General case' 0 C--N 1.363 1.173 0 CA-C-N 119.321 0.964 . . . . 100.0 109.907 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 72.9 m-80 47.99 44.23 18.52 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 116.063 1.875 . . . . 100.0 116.063 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.632 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.51 21.85 78.19 Favored Glycine 0 C--N 1.354 1.544 0 N-CA-C 112.035 -0.426 . . . . 100.0 112.035 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 56.81 41.24 28.35 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 127.34 2.256 . . . . 100.0 113.07 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.15 -45.75 93.36 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.673 1.989 . . . . 100.0 108.149 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.2 mt -94.07 114.7 26.91 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 104.697 -2.334 . . . . 100.0 104.697 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.68 -37.01 86.12 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 126.164 1.786 . . . . 100.0 112.453 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -60.22 -24.67 65.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 126.294 1.838 . . . . 100.0 115.092 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -60.44 -43.71 96.55 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.522 1.529 . . . . 100.0 111.916 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.42 137.19 55.72 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.864 0.84 . . . . 100.0 111.517 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.86 -42.25 99.68 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.971 1.708 . . . . 100.0 112.068 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -86.89 -1.76 58.07 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.881 0.872 . . . . 100.0 111.308 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.4 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 89.8 t90 75.52 -44.77 0.53 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.25 3.02 . . . . 100.0 109.954 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -87.4 107.45 15.08 Favored Pre-proline 0 N--CA 1.439 -1.013 0 N-CA-C 106.576 -1.639 . . . . 100.0 106.576 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 30.3 Cg_endo -81.99 165.03 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.436 0 C-N-CA 123.971 3.114 . . . . 100.0 112.628 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -65.48 -42.24 92.43 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 108.698 -0.853 . . . . 100.0 108.698 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -107.42 102.16 11.46 Favored 'General case' 0 C--N 1.362 1.138 0 N-CA-C 107.225 -1.398 . . . . 100.0 107.225 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.29 -40.76 74.09 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 115.245 -0.889 . . . . 100.0 113.169 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.784 ' C ' ' O2P' ' A' ' 51' ' ' TPO . 62.2 mt -66.24 145.8 55.35 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 114.994 1.479 . . . . 100.0 114.994 -177.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TPO . . . . . 1.356 ' O2P' ' N ' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.632 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.2 t70 -67.24 134.09 50.98 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 108.758 -0.83 . . . . 100.0 108.758 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.27 -100.58 2.66 Favored Glycine 0 CA--C 1.49 -1.479 0 N-CA-C 104.891 -3.284 . . . . 100.0 104.891 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -114.96 102.27 9.8 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 107.512 -1.292 . . . . 100.0 107.512 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 51.59 40.76 27.83 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.023 2.129 . . . . 100.0 112.581 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -65.34 -42.44 92.89 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 122.647 0.379 . . . . 100.0 111.893 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.4 p -73.02 147.24 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-O 121.623 0.725 . . . . 100.0 110.231 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.437 ' CD1' HD12 ' A' ' 62' ' ' LEU . 38.4 m-85 53.34 45.94 27.39 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 126.992 2.117 . . . . 100.0 111.653 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.55 -44.62 92.52 Favored Pre-proline 0 N--CA 1.44 -0.961 0 CA-C-O 116.979 -1.486 . . . . 100.0 109.807 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -69.32 150.0 70.36 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 121.921 1.747 . . . . 100.0 108.305 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.82 130.91 44.69 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 123.565 0.54 . . . . 100.0 111.062 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 58' ' ' PHE . 84.1 mt -116.39 -54.17 2.48 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 107.374 -1.343 . . . . 100.0 107.374 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -125.21 149.5 47.9 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 124.126 0.971 . . . . 100.0 108.755 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.0 mtm -63.64 -41.93 98.2 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.92 1.288 . . . . 100.0 110.379 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.76 128.47 34.81 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 105.483 -2.043 . . . . 100.0 105.483 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -96.64 110.68 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-O 122.582 1.182 . . . . 100.0 107.934 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.1 t -128.04 132.76 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 1 N-CA-C 99.856 -4.127 . . . . 100.0 99.856 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.38 -42.35 96.19 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 109.113 -0.699 . . . . 100.0 109.113 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -95.16 98.53 10.7 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 106.913 -1.514 . . . . 100.0 106.913 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -132.62 140.31 48.15 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 105.038 -2.208 . . . . 100.0 105.038 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 . . . . . 0 C--O 1.26 1.654 0 N-CA-C 105.001 -2.222 . . . . 100.0 105.001 178.912 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.476 0 N-CA-C 108.647 -1.781 . . . . 100.0 108.647 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 54.01 51.82 13.97 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 125.151 1.38 . . . . 100.0 111.461 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.38 0.68 Allowed 'General case' 0 C--N 1.364 1.234 0 C-N-CA 127.797 2.439 . . . . 100.0 110.248 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.47 20.24 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 124.924 1.29 . . . . 100.0 109.091 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.59 75.3 10.3 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 106.852 -1.536 . . . . 100.0 106.852 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.8 39.9 26.57 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.558 2.343 . . . . 100.0 114.07 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 74.2 p 53.33 36.61 23.3 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.445 2.298 . . . . 100.0 115.952 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -66.23 -39.1 89.32 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.015 1.326 . . . . 100.0 112.05 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.81 -44.52 90.82 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 114.297 1.221 . . . . 100.0 114.297 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.03 37.48 28.98 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 115.976 1.843 . . . . 100.0 115.976 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.624 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.49 20.57 18.05 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.067 -1.021 . . . . 100.0 111.942 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.94 57.38 5.19 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.515 1.526 . . . . 100.0 114.257 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.82 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.86 124.98 61.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 CA-C-O 122.123 0.963 . . . . 100.0 110.881 179.148 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.4 t -163.92 169.31 18.29 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.436 -1.32 . . . . 100.0 107.436 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.72 -39.18 90.59 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 125.667 1.587 . . . . 100.0 109.661 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.1 t60 -92.05 -74.42 0.51 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 107.966 -1.124 . . . . 100.0 107.966 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.72 -39.48 0.07 Allowed 'General case' 0 C--N 1.368 1.372 0 N-CA-C 115.774 1.768 . . . . 100.0 115.774 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.38 -175.18 4.57 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 116.299 1.963 . . . . 100.0 116.299 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.2 p -71.68 163.19 28.23 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 118.726 -2.484 . . . . 100.0 111.223 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.5 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.2 m-85 -62.54 -23.73 67.13 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 113.096 0.776 . . . . 100.0 113.096 178.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.49 -42.01 98.55 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 107.801 -1.185 . . . . 100.0 107.801 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.23 9.84 38.24 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 124.695 1.198 . . . . 100.0 112.194 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.5 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.0 t -59.92 -43.01 93.64 Favored Pre-proline 0 C--N 1.363 1.177 0 CA-C-O 115.749 -2.072 . . . . 100.0 111.852 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 -37.7 81.46 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-N 122.815 2.041 . . . . 100.0 111.623 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.86 -45.19 90.58 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 124.324 1.05 . . . . 100.0 109.778 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.4 m -62.09 -42.02 98.78 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 124.751 1.221 . . . . 100.0 110.827 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.444 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.62 -44.73 93.08 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 123.739 0.816 . . . . 100.0 110.227 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.98 95.5 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 123.845 0.858 . . . . 100.0 112.217 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.72 -51.5 69.11 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 114.423 1.268 . . . . 100.0 114.423 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.524 HE21 ' HG2' ' A' ' 69' ' ' GLU . 42.7 tt0 -98.55 -24.52 15.09 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 113.284 0.846 . . . . 100.0 113.284 -177.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 75.58 -54.23 0.63 Allowed 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 126.46 1.904 . . . . 100.0 113.739 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -63.29 -64.7 0.83 Allowed 'General case' 0 C--N 1.365 1.245 0 CA-C-N 119.535 1.061 . . . . 100.0 110.45 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 73.2 m-80 46.11 46.63 12.96 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 116.045 1.869 . . . . 100.0 116.045 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.665 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.09 22.19 76.93 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 112.414 -0.274 . . . . 100.0 112.414 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 56.65 39.44 29.77 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 126.863 2.065 . . . . 100.0 113.49 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -62.89 -42.99 99.97 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 124.821 1.248 . . . . 100.0 107.738 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.8 mt -92.15 114.21 26.69 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 105.22 -2.141 . . . . 100.0 105.22 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.98 -36.79 85.52 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.111 1.364 . . . . 100.0 113.399 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.39 -29.25 63.92 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 126.468 1.907 . . . . 100.0 114.592 -177.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.86 -42.12 92.98 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.274 1.03 . . . . 100.0 112.086 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.38 136.05 47.57 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.804 0.812 . . . . 100.0 111.343 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.86 -39.68 94.77 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.073 1.349 . . . . 100.0 112.298 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.31 0.22 49.96 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 123.557 0.743 . . . . 100.0 112.248 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 75.76 -49.05 0.61 Allowed 'General case' 0 C--N 1.368 1.392 0 C-N-CA 126.423 1.889 . . . . 100.0 111.638 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -96.55 111.58 57.49 Favored Pre-proline 0 N--CA 1.435 -1.216 0 N-CA-C 106.672 -1.603 . . . . 100.0 106.672 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -81.28 170.74 14.52 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 125.002 3.801 . . . . 100.0 113.063 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -62.1 -44.84 95.78 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.885 -0.783 . . . . 100.0 108.885 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -110.03 104.96 13.92 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 108.194 -1.039 . . . . 100.0 108.194 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.7 tp -70.34 -40.8 73.91 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 123.856 0.862 . . . . 100.0 111.534 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.0 mt -67.7 147.5 52.56 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 116.342 1.979 . . . . 100.0 116.342 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TPO . . . . . 1.003 HG22 ' O1P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.665 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 16.4 t70 -70.87 135.52 48.08 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.097 -1.075 . . . . 100.0 108.097 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.77 -100.61 2.66 Favored Glycine 0 CA--C 1.487 -1.684 0 N-CA-C 104.641 -3.384 . . . . 100.0 104.641 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -118.31 101.16 7.98 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.671 -1.603 . . . . 100.0 106.671 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 52.82 40.62 30.99 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.779 2.031 . . . . 100.0 113.214 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -66.04 -40.77 91.27 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 116.175 -0.466 . . . . 100.0 111.221 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.402 HG21 ' CD2' ' A' ' 58' ' ' PHE . 8.2 p -71.8 144.89 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 C-N-CA 123.518 0.727 . . . . 100.0 110.278 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.402 ' CD2' HG21 ' A' ' 57' ' ' VAL 0.338 94.1 m-85 52.6 48.06 23.35 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 126.012 1.725 . . . . 100.0 113.722 -178.743 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.76 -45.94 92.92 Favored Pre-proline 0 C--N 1.357 0.925 0 CA-C-O 116.87 -1.538 . . . . 100.0 109.024 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.23 158.23 52.24 Favored 'Trans proline' 0 C--N 1.387 2.586 0 C-N-CA 122.099 1.866 . . . . 100.0 109.158 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.06 131.67 49.37 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 121.709 0.766 . . . . 100.0 110.167 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.4 tp -120.31 -58.78 1.83 Allowed 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 106.01 -1.848 . . . . 100.0 106.01 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -130.52 150.72 51.6 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 107.883 -1.154 . . . . 100.0 107.883 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.6 mmm -64.35 -40.87 96.72 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 124.231 1.012 . . . . 100.0 110.801 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -85.69 129.08 34.92 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 105.207 -2.146 . . . . 100.0 105.207 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -99.36 108.51 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 CA-C-O 122.424 1.107 . . . . 100.0 108.027 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.6 t -130.68 134.8 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 100.577 -3.86 . . . . 100.0 100.577 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -64.04 -42.35 97.09 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 109.017 -0.735 . . . . 100.0 109.017 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.524 ' HG2' HE21 ' A' ' 30' ' ' GLN . 73.3 mt-10 -86.7 81.16 8.31 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.549 0.69 . . . . 100.0 109.459 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.4 m -129.78 131.05 46.09 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 105.914 -1.884 . . . . 100.0 105.914 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--O 1.258 1.548 0 N-CA-C 105.489 -2.041 . . . . 100.0 105.489 178.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.523 0 N-CA-C 108.649 -1.78 . . . . 100.0 108.649 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 53.91 51.92 13.89 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.188 1.395 . . . . 100.0 111.46 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.3 m 73.73 -54.35 0.68 Allowed 'General case' 0 C--N 1.366 1.285 0 C-N-CA 127.796 2.438 . . . . 100.0 110.255 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 167.51 20.1 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.945 1.298 . . . . 100.0 109.111 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.58 75.25 10.3 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.89 -1.522 . . . . 100.0 106.89 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.88 39.77 26.58 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 127.567 2.347 . . . . 100.0 114.089 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 74.2 p 53.42 36.61 23.52 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 127.469 2.308 . . . . 100.0 115.916 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -66.19 -39.14 89.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.061 1.344 . . . . 100.0 112.047 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.87 -44.4 91.06 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 114.304 1.224 . . . . 100.0 114.304 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 54.92 37.56 28.95 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 115.942 1.83 . . . . 100.0 115.942 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.626 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.47 20.53 18.1 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 121.049 -1.032 . . . . 100.0 111.916 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.03 57.32 5.18 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.5 1.52 . . . . 100.0 114.279 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.816 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.82 124.92 61.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 122.087 0.946 . . . . 100.0 110.891 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.9 169.3 18.33 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.474 -1.306 . . . . 100.0 107.474 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.66 -39.2 90.51 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.647 1.579 . . . . 100.0 109.719 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.1 t60 -92.04 -74.46 0.51 Allowed 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 107.955 -1.128 . . . . 100.0 107.955 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.65 -39.46 0.08 Allowed 'General case' 0 C--N 1.368 1.381 0 N-CA-C 115.85 1.796 . . . . 100.0 115.85 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.42 -175.21 4.6 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 116.272 1.953 . . . . 100.0 116.272 -175.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.3 p -71.62 163.19 28.22 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 118.658 -2.526 . . . . 100.0 111.242 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.501 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.5 -23.74 67.11 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 113.117 0.784 . . . . 100.0 113.117 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.48 -42.05 98.58 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 107.83 -1.174 . . . . 100.0 107.83 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.21 9.84 38.23 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 124.704 1.202 . . . . 100.0 112.181 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.501 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.2 t -59.83 -43.05 94.07 Favored Pre-proline 0 C--N 1.362 1.151 0 CA-C-O 115.816 -2.04 . . . . 100.0 111.916 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.21 -37.69 81.4 Favored 'Trans proline' 0 C--N 1.381 2.239 0 CA-C-N 122.77 2.025 . . . . 100.0 111.604 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.87 -45.18 90.6 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 124.333 1.053 . . . . 100.0 109.755 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.14 -42.05 98.87 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 124.757 1.223 . . . . 100.0 110.806 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.438 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.56 -44.71 93.37 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 123.734 0.814 . . . . 100.0 110.219 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.96 95.39 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 123.841 0.856 . . . . 100.0 112.234 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.65 -51.53 68.98 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 114.433 1.271 . . . . 100.0 114.433 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.471 HE21 ' HG2' ' A' ' 69' ' ' GLU . 40.8 tt0 -100.56 -23.42 14.69 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 119.068 -1.053 . . . . 100.0 113.524 -177.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 74.56 -54.79 0.67 Allowed 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 125.506 1.522 . . . . 100.0 114.317 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.19 -64.57 0.85 Allowed 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.211 0.914 . . . . 100.0 109.742 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 74.3 m-80 47.91 45.03 18.85 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 115.894 1.813 . . . . 100.0 115.894 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.633 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.91 20.14 78.13 Favored Glycine 0 C--N 1.353 1.507 0 N-CA-C 111.638 -0.585 . . . . 100.0 111.638 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 55.43 42.6 29.82 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 127.008 2.123 . . . . 100.0 112.463 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -61.11 -45.87 92.91 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 128.691 2.796 . . . . 100.0 107.08 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -98.07 116.8 31.03 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 105.139 -2.171 . . . . 100.0 105.139 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.74 -36.26 83.72 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.635 1.574 . . . . 100.0 112.663 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -58.51 -27.26 64.32 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 125.934 1.694 . . . . 100.0 114.894 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.59 -42.41 96.69 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 123.403 0.681 . . . . 100.0 112.538 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -72.92 134.73 44.89 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.483 0.659 . . . . 100.0 110.678 -177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.18 -39.42 94.59 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 124.543 1.137 . . . . 100.0 112.413 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.68 -2.94 48.81 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.05 1.34 . . . . 100.0 111.783 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 75.39 -49.42 0.63 Allowed 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.316 2.647 . . . . 100.0 110.681 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -92.85 112.23 54.91 Favored Pre-proline 0 N--CA 1.437 -1.095 0 N-CA-C 107.269 -1.382 . . . . 100.0 107.269 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -82.72 172.15 11.41 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 124.972 3.781 . . . . 100.0 112.36 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -62.91 -44.39 96.21 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 123.509 0.724 . . . . 100.0 109.311 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -109.14 104.31 13.46 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 107.628 -1.249 . . . . 100.0 107.628 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.57 -40.58 73.22 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.269 -0.878 . . . . 100.0 111.424 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.1 mt -64.09 146.13 54.73 Favored 'General case' 0 CA--C 1.49 -1.358 0 N-CA-C 115.717 1.747 . . . . 100.0 115.717 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.633 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.4 t70 -70.75 134.35 47.36 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.725 -0.842 . . . . 100.0 108.725 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.94 -98.85 2.56 Favored Glycine 0 CA--C 1.49 -1.531 0 N-CA-C 105.065 -3.214 . . . . 100.0 105.065 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -118.48 102.8 9.19 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 106.916 -1.513 . . . . 100.0 106.916 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 52.93 38.37 26.85 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 126.972 2.109 . . . . 100.0 112.554 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -65.63 -42.02 91.98 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 112.491 0.552 . . . . 100.0 112.491 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 p -72.82 151.77 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.187 0 CA-C-O 121.38 0.61 . . . . 100.0 110.686 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 53.77 47.23 24.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 127.407 2.283 . . . . 100.0 110.335 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.97 -46.53 96.71 Favored Pre-proline 0 C--N 1.36 1.029 0 CA-C-O 116.523 -1.703 . . . . 100.0 109.414 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.92 146.98 54.39 Favored 'Trans proline' 0 C--N 1.383 2.356 0 CA-C-N 122.315 1.862 . . . . 100.0 107.843 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -71.42 131.87 43.97 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 112.618 0.599 . . . . 100.0 112.618 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.8 mt -115.32 -49.72 2.76 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 107.782 -1.192 . . . . 100.0 107.782 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -120.87 145.35 47.73 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.326 -0.99 . . . . 100.0 108.326 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.9 mtp -64.18 -41.99 96.88 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.384 1.074 . . . . 100.0 110.462 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -83.51 131.28 35.01 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 106.746 -1.576 . . . . 100.0 106.746 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.33 109.85 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 108.235 -1.024 . . . . 100.0 108.235 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.7 t -130.2 133.37 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 1 N-CA-C 100.045 -4.057 . . . . 100.0 100.045 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -64.72 -40.86 96.05 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 108.53 -0.915 . . . . 100.0 108.53 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.471 ' HG2' HE21 ' A' ' 30' ' ' GLN . 83.1 mt-10 -85.19 90.79 7.97 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.338 -1.356 . . . . 100.0 107.338 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.5 m -113.09 127.89 56.34 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 104.338 -2.467 . . . . 100.0 104.338 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.435 HE22 ' HB3' ' A' ' 69' ' ' GLU . 23.2 mp0 . . . . . 0 C--O 1.261 1.697 0 N-CA-C 107.354 -1.35 . . . . 100.0 107.354 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.497 0 N-CA-C 108.632 -1.787 . . . . 100.0 108.632 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 54.02 51.84 13.92 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 125.216 1.406 . . . . 100.0 111.444 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.35 0.68 Allowed 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.818 2.447 . . . . 100.0 110.272 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 167.5 20.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 124.935 1.294 . . . . 100.0 109.095 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.54 75.18 10.3 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.899 -1.519 . . . . 100.0 106.899 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.97 39.79 26.88 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 127.539 2.336 . . . . 100.0 114.032 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 74.3 p 53.31 36.63 23.3 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.491 2.316 . . . . 100.0 116.001 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.24 -39.1 89.3 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.038 1.335 . . . . 100.0 111.998 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.79 -44.55 90.77 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.285 1.217 . . . . 100.0 114.285 -175.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 54.99 37.52 29.04 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 115.964 1.838 . . . . 100.0 115.964 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.63 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.47 20.54 18.08 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 121.081 -1.012 . . . . 100.0 111.963 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.05 57.27 5.21 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.509 1.524 . . . . 100.0 114.275 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.815 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.77 124.9 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-O 122.055 0.931 . . . . 100.0 110.937 179.201 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.91 169.26 18.37 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.467 -1.308 . . . . 100.0 107.467 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.65 -39.23 90.63 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 125.641 1.576 . . . . 100.0 109.642 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 68.9 t60 -91.99 -74.45 0.51 Allowed 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 107.973 -1.121 . . . . 100.0 107.973 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.7 -39.51 0.07 Allowed 'General case' 0 C--N 1.368 1.383 0 N-CA-C 115.797 1.777 . . . . 100.0 115.797 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.36 -175.18 4.57 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 116.323 1.971 . . . . 100.0 116.323 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 p -71.69 163.18 28.26 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 118.681 -2.512 . . . . 100.0 111.201 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.494 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.5 m-85 -62.54 -23.63 67.08 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 113.142 0.793 . . . . 100.0 113.142 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.54 -42.02 98.44 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 107.814 -1.18 . . . . 100.0 107.814 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.25 9.88 38.15 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 124.718 1.207 . . . . 100.0 112.182 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.87 -43.06 93.94 Favored Pre-proline 0 C--N 1.362 1.124 0 CA-C-O 115.769 -2.062 . . . . 100.0 111.867 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.24 -37.69 81.15 Favored 'Trans proline' 0 C--N 1.38 2.219 0 CA-C-N 122.781 2.029 . . . . 100.0 111.565 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.89 -45.15 90.67 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 124.311 1.044 . . . . 100.0 109.743 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.14 -42.03 98.84 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.768 1.227 . . . . 100.0 110.767 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -63.64 -44.73 92.98 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.776 0.83 . . . . 100.0 110.183 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.94 95.37 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 123.811 0.845 . . . . 100.0 112.239 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.63 -49.65 76.67 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 114.41 1.263 . . . . 100.0 114.41 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -104.97 -22.76 13.07 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 116.255 1.946 . . . . 100.0 116.255 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.261 89.4 m-85 72.68 -55.57 0.67 Allowed 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 116.26 1.948 . . . . 100.0 116.26 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -64.34 -62.81 1.37 Allowed 'General case' 0 C--N 1.361 1.075 0 CA-C-N 118.998 0.817 . . . . 100.0 109.713 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . 0.262 75.5 m-80 46.02 46.82 12.74 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 116.749 2.129 . . . . 100.0 116.749 177.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.625 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.46 19.31 79.47 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 112.075 -0.41 . . . . 100.0 112.075 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.253 90.8 m-85 56.11 41.82 29.08 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 127.088 2.155 . . . . 100.0 113.911 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -61.52 -45.2 95.18 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 126.506 1.922 . . . . 100.0 108.006 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.07 113.84 25.89 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 104.424 -2.436 . . . . 100.0 104.424 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.94 -26.24 65.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.923 1.289 . . . . 100.0 111.914 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.44 -36.2 73.28 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 128.718 2.807 . . . . 100.0 112.465 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -59.97 -41.26 91.59 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.358 1.063 . . . . 100.0 112.788 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.02 133.74 48.53 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 121.748 0.785 . . . . 100.0 109.951 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.09 -39.52 94.94 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 125.096 1.358 . . . . 100.0 112.28 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -90.28 7.79 36.57 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 123.716 0.806 . . . . 100.0 112.931 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 74.57 -53.01 0.68 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 126.602 1.961 . . . . 100.0 112.653 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -95.26 112.15 57.58 Favored Pre-proline 0 C--N 1.358 0.957 0 CA-C-N 119.469 1.031 . . . . 100.0 110.599 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -81.51 171.77 13.16 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 125.012 3.808 . . . . 100.0 112.081 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.84 -43.41 98.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.91 0.756 . . . . 100.0 110.691 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -108.92 102.35 11.37 Favored 'General case' 0 CA--C 1.494 -1.198 0 N-CA-C 107.134 -1.432 . . . . 100.0 107.134 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -70.57 -40.44 73.32 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.461 -1.245 . . . . 100.0 112.435 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt -66.6 145.67 55.34 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 114.934 1.457 . . . . 100.0 114.934 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.625 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 12.6 t70 -69.52 133.13 47.3 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 108.108 -1.071 . . . . 100.0 108.108 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.52 -100.24 2.64 Favored Glycine 0 CA--C 1.485 -1.786 0 N-CA-C 104.187 -3.565 . . . . 100.0 104.187 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -116.06 103.64 10.77 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 107.351 -1.351 . . . . 100.0 107.351 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 51.61 40.74 27.83 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 126.749 2.019 . . . . 100.0 113.368 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -65.74 -41.65 91.94 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 122.814 0.446 . . . . 100.0 111.71 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.0 p -73.59 151.53 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.145 0 C-N-CA 123.623 0.769 . . . . 100.0 109.726 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 55.06 43.86 29.0 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 126.536 1.934 . . . . 100.0 111.157 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.21 -46.26 95.62 Favored Pre-proline 0 C--N 1.361 1.105 0 CA-C-O 116.969 -1.491 . . . . 100.0 111.102 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -72.77 159.36 48.62 Favored 'Trans proline' 0 C--N 1.379 2.139 0 CA-C-N 122.114 1.791 . . . . 100.0 109.449 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -64.08 131.35 47.25 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 121.222 0.534 . . . . 100.0 111.761 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.6 tp -115.54 -59.05 2.05 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 104.295 -2.483 . . . . 100.0 104.295 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -133.51 153.49 51.6 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 123.922 0.889 . . . . 100.0 108.676 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 87.0 mtp -64.13 -41.46 97.21 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.447 0.699 . . . . 100.0 111.798 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -81.24 128.33 33.67 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 105.446 -2.057 . . . . 100.0 105.446 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -99.83 111.45 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-O 122.772 1.272 . . . . 100.0 109.284 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.06 134.51 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 N-CA-C 100.88 -3.748 . . . . 100.0 100.88 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.18 -41.75 94.29 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.691 -0.855 . . . . 100.0 108.691 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -86.49 85.01 7.3 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.255 -1.017 . . . . 100.0 108.255 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -125.01 134.7 52.48 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 106.381 -1.711 . . . . 100.0 106.381 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 . . . . . 0 C--O 1.26 1.657 0 CA-C-N 114.808 -1.087 . . . . 100.0 108.796 179.673 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.479 0 N-CA-C 108.654 -1.778 . . . . 100.0 108.654 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t 53.96 51.84 13.98 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.174 1.39 . . . . 100.0 111.468 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.7 m 73.88 -54.39 0.68 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.776 2.43 . . . . 100.0 110.264 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.17 167.53 20.1 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 124.907 1.283 . . . . 100.0 109.114 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.6 75.27 10.31 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 106.851 -1.537 . . . . 100.0 106.851 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.89 39.84 26.73 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.549 2.339 . . . . 100.0 114.043 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.262 73.7 p 53.38 36.56 23.3 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 127.464 2.306 . . . . 100.0 115.944 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -66.22 -39.08 89.33 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.035 1.334 . . . . 100.0 112.078 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.74 -44.52 90.52 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.367 1.247 . . . . 100.0 114.367 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 54.98 37.53 29.02 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.941 1.83 . . . . 100.0 115.941 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.622 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.43 20.47 18.18 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.029 -1.044 . . . . 100.0 111.962 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.09 57.26 5.19 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.456 1.502 . . . . 100.0 114.259 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.818 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.78 124.95 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-O 122.101 0.953 . . . . 100.0 110.911 179.18 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.9 169.33 18.29 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.46 -1.311 . . . . 100.0 107.46 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.18 90.54 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.642 1.577 . . . . 100.0 109.716 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.04 -74.47 0.51 Allowed 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.943 -1.132 . . . . 100.0 107.943 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -156.7 -39.44 0.07 Allowed 'General case' 0 C--N 1.368 1.382 0 N-CA-C 115.799 1.777 . . . . 100.0 115.799 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.31 -175.15 4.53 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 116.343 1.979 . . . . 100.0 116.343 -175.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.3 p -71.67 163.22 28.17 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 118.742 -2.474 . . . . 100.0 111.18 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.1 m-85 -62.6 -23.69 67.17 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 113.09 0.774 . . . . 100.0 113.09 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.53 -41.99 98.45 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.785 -1.191 . . . . 100.0 107.785 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.22 9.84 38.23 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 124.746 1.218 . . . . 100.0 112.219 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.84 -43.03 93.99 Favored Pre-proline 0 C--N 1.362 1.138 0 CA-C-O 115.827 -2.035 . . . . 100.0 111.93 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.19 -37.76 81.11 Favored 'Trans proline' 0 C--N 1.381 2.252 0 CA-C-N 122.79 2.032 . . . . 100.0 111.603 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.83 -45.16 90.81 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 124.292 1.037 . . . . 100.0 109.796 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.09 -42.08 98.85 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 124.777 1.231 . . . . 100.0 110.786 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.435 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.66 -44.65 93.17 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 123.735 0.814 . . . . 100.0 110.189 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.0 95.51 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 123.852 0.861 . . . . 100.0 112.251 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.71 -48.4 81.95 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 114.436 1.273 . . . . 100.0 114.436 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -105.02 -21.75 13.23 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 113.913 1.079 . . . . 100.0 113.913 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.289 91.4 m-85 74.38 -54.58 0.67 Allowed 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 116.239 1.94 . . . . 100.0 116.239 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -66.69 -62.53 1.4 Allowed 'General case' 0 C--N 1.36 1.055 0 CA-C-N 119.431 1.014 . . . . 100.0 110.479 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 72.6 m-80 47.81 45.24 18.49 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 114.883 1.438 . . . . 100.0 114.883 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.602 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 73.12 23.32 77.91 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-O 119.927 -0.374 . . . . 100.0 112.29 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 95.8 m-85 56.42 41.51 28.79 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.258 1.823 . . . . 100.0 112.974 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -61.07 -46.15 91.83 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.957 2.103 . . . . 100.0 106.936 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.3 mt -96.98 118.03 32.49 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 105.01 -2.219 . . . . 100.0 105.01 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.48 -24.11 64.65 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.968 1.307 . . . . 100.0 111.676 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -57.9 -35.66 71.35 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 128.756 2.822 . . . . 100.0 112.209 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.97 -43.31 91.34 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.266 1.426 . . . . 100.0 113.036 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.52 136.37 49.32 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.336 0.588 . . . . 100.0 110.543 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -62.8 -41.08 99.13 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 124.492 1.117 . . . . 100.0 112.455 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -88.95 4.13 49.14 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.331 0.652 . . . . 100.0 112.008 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.7 t90 74.06 -45.02 0.58 Allowed 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.969 2.508 . . . . 100.0 112.61 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -91.62 109.28 35.43 Favored Pre-proline 0 C--N 1.359 1.003 0 N-CA-C 106.338 -1.727 . . . . 100.0 106.338 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -81.59 168.19 16.38 Favored 'Trans proline' 0 C--N 1.365 1.446 0 C-N-CA 124.813 3.675 . . . . 100.0 114.608 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -64.33 -44.49 91.34 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 124.166 0.916 . . . . 100.0 109.638 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 81.4 mm-40 -109.27 101.43 10.44 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 105.275 -2.12 . . . . 100.0 105.275 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.7 tp -70.1 -39.95 75.23 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.813 1.245 . . . . 100.0 112.52 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.688 ' C ' ' O3P' ' A' ' 51' ' ' TPO . 64.3 mt -63.19 144.05 57.26 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 115.782 1.771 . . . . 100.0 115.782 -178.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TPO . . . . . 1.285 ' O3P' ' N ' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.602 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 14.7 t70 -70.78 133.2 46.35 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 108.252 -1.018 . . . . 100.0 108.252 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.42 -98.8 2.57 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 104.18 -3.568 . . . . 100.0 104.18 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -115.78 103.53 10.75 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 105.983 -1.858 . . . . 100.0 105.983 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 51.79 41.01 28.91 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.725 1.61 . . . . 100.0 114.419 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -67.18 -41.69 85.48 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.395 -0.816 . . . . 100.0 111.896 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.0 150.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 C-N-CA 123.786 0.834 . . . . 100.0 109.912 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 54.13 47.48 23.12 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 125.452 1.501 . . . . 100.0 111.19 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.14 -45.02 95.78 Favored Pre-proline 0 N--CA 1.44 -0.958 0 CA-C-O 117.19 -1.386 . . . . 100.0 109.713 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -71.89 156.83 56.07 Favored 'Trans proline' 0 C--N 1.383 2.351 0 C-N-CA 121.906 1.737 . . . . 100.0 109.077 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.06 130.92 44.69 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 109.226 -0.657 . . . . 100.0 109.226 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.3 tp -119.63 -54.95 2.14 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 106.925 -1.509 . . . . 100.0 106.925 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -128.22 154.92 45.31 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 108.207 -1.035 . . . . 100.0 108.207 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.3 mtp -63.0 -42.83 99.95 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 124.709 1.203 . . . . 100.0 111.232 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -88.69 129.93 35.42 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 105.768 -1.938 . . . . 100.0 105.768 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.94 107.18 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 N-CA-C 106.269 -1.752 . . . . 100.0 106.269 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.04 135.56 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 N-CA-C 100.477 -3.898 . . . . 100.0 100.477 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -65.27 -41.98 93.68 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.008 -1.108 . . . . 100.0 108.008 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -86.14 89.35 7.8 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 122.002 0.906 . . . . 100.0 108.87 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -130.64 138.9 50.31 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 103.488 -2.782 . . . . 100.0 103.488 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.261 1.676 0 N-CA-C 105.609 -1.996 . . . . 100.0 105.609 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.517 0 N-CA-C 108.647 -1.781 . . . . 100.0 108.647 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t 53.98 51.83 13.98 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.2 1.4 . . . . 100.0 111.506 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m 73.81 -54.36 0.68 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.833 2.453 . . . . 100.0 110.248 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.11 167.52 20.07 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.896 1.278 . . . . 100.0 109.114 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.55 75.19 10.3 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.898 -1.519 . . . . 100.0 106.898 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.88 39.81 26.63 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.566 2.346 . . . . 100.0 114.084 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 72.7 p 53.38 36.62 23.45 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 127.486 2.314 . . . . 100.0 115.962 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -66.25 -39.08 89.26 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.029 1.332 . . . . 100.0 111.999 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.82 -44.47 90.87 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 114.33 1.233 . . . . 100.0 114.33 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 54.99 37.51 29.0 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 115.911 1.819 . . . . 100.0 115.911 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.628 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.42 20.49 18.16 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 121.049 -1.032 . . . . 100.0 111.982 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.97 57.37 5.17 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.487 1.515 . . . . 100.0 114.3 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.818 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.88 125.01 61.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 CA-C-O 122.126 0.965 . . . . 100.0 110.866 179.197 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.98 169.24 18.29 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.459 -1.311 . . . . 100.0 107.459 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.68 -39.13 90.35 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 125.632 1.573 . . . . 100.0 109.704 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.08 -74.36 0.52 Allowed 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 108.021 -1.103 . . . . 100.0 108.021 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -156.73 -39.53 0.07 Allowed 'General case' 0 C--N 1.367 1.37 0 N-CA-C 115.811 1.782 . . . . 100.0 115.811 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.32 -175.14 4.52 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 116.365 1.987 . . . . 100.0 116.365 -175.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.1 p -71.74 163.2 28.23 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 118.718 -2.489 . . . . 100.0 111.167 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.496 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.5 -23.75 67.11 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 113.102 0.778 . . . . 100.0 113.102 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.45 -42.03 98.65 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 107.845 -1.169 . . . . 100.0 107.845 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -95.24 9.85 38.22 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.706 1.203 . . . . 100.0 112.167 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.83 -43.05 94.05 Favored Pre-proline 0 C--N 1.362 1.142 0 CA-C-O 115.798 -2.049 . . . . 100.0 111.933 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.18 -37.73 81.43 Favored 'Trans proline' 0 C--N 1.38 2.229 0 CA-C-N 122.782 2.029 . . . . 100.0 111.554 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.91 -45.2 90.37 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.301 1.04 . . . . 100.0 109.706 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.08 -42.06 98.82 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 124.787 1.235 . . . . 100.0 110.777 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.441 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.59 -44.76 93.1 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.765 0.826 . . . . 100.0 110.183 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.94 95.4 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 123.753 0.821 . . . . 100.0 112.286 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.7 -50.93 71.5 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 114.409 1.263 . . . . 100.0 114.409 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -101.49 -23.62 14.29 Favored 'General case' 0 C--N 1.366 1.316 0 N-CA-C 113.756 1.021 . . . . 100.0 113.756 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 74.62 -54.93 0.66 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 126.539 1.936 . . . . 100.0 114.264 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -65.55 -62.41 1.53 Allowed 'General case' 0 C--N 1.366 1.291 0 CA-C-N 119.715 1.143 . . . . 100.0 110.97 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.441 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 65.8 m-80 48.64 44.61 21.33 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 115.744 1.757 . . . . 100.0 115.744 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.583 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.91 20.6 79.38 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.144 -0.782 . . . . 100.0 111.144 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 55.62 41.79 30.21 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 127.307 2.243 . . . . 100.0 113.753 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -60.54 -46.02 91.73 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 127.57 2.348 . . . . 100.0 108.302 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.66 113.21 24.9 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 104.396 -2.446 . . . . 100.0 104.396 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.18 -34.96 79.62 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 125.643 1.577 . . . . 100.0 112.919 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.1 -25.32 63.71 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.778 2.031 . . . . 100.0 113.399 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.5 -42.44 96.37 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.26 1.024 . . . . 100.0 111.489 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.91 134.34 44.75 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.825 0.821 . . . . 100.0 110.799 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.44 -39.03 93.39 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 125.139 1.376 . . . . 100.0 112.41 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -86.34 2.81 46.08 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.999 0.92 . . . . 100.0 112.18 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 75.97 -49.74 0.6 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.117 2.567 . . . . 100.0 111.161 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -96.95 111.25 57.15 Favored Pre-proline 0 N--CA 1.438 -1.032 0 CA-C-N 118.945 0.793 . . . . 100.0 109.775 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -82.52 173.91 10.18 Favored 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 124.876 3.717 . . . . 100.0 112.068 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.36 -43.56 98.54 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 123.985 0.914 . . . . 100.0 111.037 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -107.41 101.91 11.23 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.908 -1.515 . . . . 100.0 106.908 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.85 -39.52 72.89 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 112.939 0.718 . . . . 100.0 112.939 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -63.05 141.76 58.64 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 125.474 1.51 . . . . 100.0 113.97 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TPO . . . . . 0.97 HG22 ' O1P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.583 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 11.5 t70 -68.91 132.8 47.31 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-O 121.543 0.687 . . . . 100.0 109.754 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.49 -99.19 2.56 Favored Glycine 0 CA--C 1.487 -1.662 0 N-CA-C 104.014 -3.634 . . . . 100.0 104.014 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -118.32 102.15 8.74 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 107.433 -1.321 . . . . 100.0 107.433 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 52.77 40.22 30.11 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 126.546 1.939 . . . . 100.0 112.642 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.77 -41.14 92.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 122.659 0.384 . . . . 100.0 111.67 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.27 150.35 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 123.166 0.586 . . . . 100.0 109.432 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 55.07 47.17 22.57 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.957 1.703 . . . . 100.0 112.363 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.95 -47.81 94.46 Favored Pre-proline 0 C--N 1.359 0.99 0 CA-C-O 116.805 -1.569 . . . . 100.0 109.912 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.87 155.85 53.08 Favored 'Trans proline' 0 C--N 1.379 2.184 0 CA-C-N 122.277 1.849 . . . . 100.0 109.166 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -67.44 131.58 45.96 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 121.428 0.632 . . . . 100.0 110.485 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.4 tp -115.56 -55.92 2.39 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.384 -1.71 . . . . 100.0 106.384 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -129.15 151.0 50.29 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 107.43 -1.322 . . . . 100.0 107.43 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.7 mmm -64.78 -40.21 94.87 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 123.616 0.766 . . . . 100.0 111.298 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -81.26 124.79 29.61 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 105.006 -2.22 . . . . 100.0 105.006 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.6 109.55 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 108.029 -1.1 . . . . 100.0 108.029 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.04 137.09 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 100.739 -3.8 . . . . 100.0 100.739 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -64.9 -42.01 95.11 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.625 -0.88 . . . . 100.0 108.625 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -85.68 84.73 7.5 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.148 -0.686 . . . . 100.0 109.148 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -125.03 134.26 52.62 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 105.246 -2.131 . . . . 100.0 105.246 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 . . . . . 0 C--O 1.261 1.7 0 N-CA-C 104.683 -2.34 . . . . 100.0 104.683 178.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.495 0 N-CA-C 108.622 -1.791 . . . . 100.0 108.622 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 54.02 51.8 13.99 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.223 1.409 . . . . 100.0 111.492 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.32 0.68 Allowed 'General case' 0 C--N 1.366 1.284 0 C-N-CA 127.8 2.44 . . . . 100.0 110.253 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.54 20.11 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 124.938 1.295 . . . . 100.0 109.078 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.58 75.17 10.31 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.849 -1.537 . . . . 100.0 106.849 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.93 39.85 26.9 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.576 2.351 . . . . 100.0 114.005 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 74.7 p 53.37 36.6 23.37 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 127.475 2.31 . . . . 100.0 115.93 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -39.11 89.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.044 1.338 . . . . 100.0 112.018 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.83 -44.5 90.93 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.289 1.218 . . . . 100.0 114.289 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.0 37.51 29.03 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 115.967 1.839 . . . . 100.0 115.967 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.635 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.45 20.47 18.17 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 121.012 -1.055 . . . . 100.0 111.937 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.05 57.3 5.18 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.499 1.52 . . . . 100.0 114.298 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.818 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.8 124.9 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 122.078 0.942 . . . . 100.0 110.947 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.86 169.29 18.41 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.982 1.313 . . . . 100.0 107.46 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.16 90.5 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 125.638 1.575 . . . . 100.0 109.726 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.04 -74.4 0.51 Allowed 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 108.012 -1.107 . . . . 100.0 108.012 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.4 p -156.71 -39.48 0.07 Allowed 'General case' 0 C--N 1.367 1.366 0 N-CA-C 115.821 1.786 . . . . 100.0 115.821 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.35 -175.16 4.55 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 116.368 1.988 . . . . 100.0 116.368 -175.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.6 p -71.69 163.24 28.15 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 118.72 -2.487 . . . . 100.0 111.232 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.57 -23.7 67.15 Favored 'General case' 0 C--N 1.358 0.97 0 N-CA-C 113.118 0.784 . . . . 100.0 113.118 178.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.5 -42.05 98.53 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.8 -1.185 . . . . 100.0 107.8 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.19 9.89 38.0 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.684 1.194 . . . . 100.0 112.223 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.495 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.85 -43.07 94.01 Favored Pre-proline 0 C--N 1.362 1.134 0 CA-C-O 115.845 -2.026 . . . . 100.0 111.922 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.14 -37.77 81.47 Favored 'Trans proline' 0 C--N 1.381 2.272 0 CA-C-N 122.748 2.017 . . . . 100.0 111.619 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 -45.12 90.95 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.27 1.028 . . . . 100.0 109.812 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.1 m -62.16 -42.02 98.87 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.74 1.216 . . . . 100.0 110.747 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.404 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.63 -44.68 93.18 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 123.76 0.824 . . . . 100.0 110.193 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.87 95.13 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 123.746 0.818 . . . . 100.0 112.274 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.73 -51.24 70.18 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 114.38 1.252 . . . . 100.0 114.38 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -100.41 -26.32 13.91 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 119.078 -1.049 . . . . 100.0 113.831 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 74.82 -52.99 0.68 Allowed 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 125.728 1.611 . . . . 100.0 113.571 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -63.87 -63.33 1.19 Allowed 'General case' 0 C--N 1.363 1.169 0 CA-C-N 119.582 1.083 . . . . 100.0 110.374 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 56.1 m-80 49.05 43.82 22.39 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.459 1.504 . . . . 100.0 114.678 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.59 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.27 21.92 76.97 Favored Glycine 0 C--N 1.355 1.603 0 O-C-N 122.078 -0.389 . . . . 100.0 112.151 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 57.06 39.08 29.44 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.737 2.015 . . . . 100.0 112.913 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -62.31 -43.82 97.95 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.631 1.572 . . . . 100.0 107.975 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.4 mt -92.77 114.53 27.11 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.896 -2.261 . . . . 100.0 104.896 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.64 -36.48 84.41 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.755 1.622 . . . . 100.0 112.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.54 -23.44 64.59 Favored 'General case' 0 CA--C 1.504 -0.825 0 C-N-CA 126.142 1.777 . . . . 100.0 115.082 -177.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -60.12 -43.77 95.37 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.888 1.275 . . . . 100.0 111.678 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.52 136.37 45.86 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 121.701 0.763 . . . . 100.0 110.815 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.55 -39.71 95.13 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 124.72 1.208 . . . . 100.0 112.62 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -85.84 -1.43 57.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.525 0.73 . . . . 100.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 92.3 t90 73.81 -40.24 0.45 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.06 2.944 . . . . 100.0 112.116 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -91.29 107.14 19.33 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 105.382 -2.081 . . . . 100.0 105.382 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -81.56 168.02 16.56 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 124.531 3.487 . . . . 100.0 114.341 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -63.93 -44.7 92.09 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 124.631 1.173 . . . . 100.0 109.296 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -111.34 105.31 13.91 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 105.501 -2.037 . . . . 100.0 105.501 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.0 -41.5 74.27 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 113.411 0.893 . . . . 100.0 113.411 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -68.77 148.07 50.86 Favored 'General case' 0 CA--C 1.489 -1.404 0 N-CA-C 116.146 1.906 . . . . 100.0 116.146 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TPO . . . . . 1.013 HG22 ' O1P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.59 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 19.6 t70 -71.12 133.55 46.31 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 107.609 -1.256 . . . . 100.0 107.609 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.5 -98.97 2.5 Favored Glycine 0 CA--C 1.484 -1.879 0 N-CA-C 104.048 -3.621 . . . . 100.0 104.048 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -119.06 102.24 8.6 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 106.871 -1.529 . . . . 100.0 106.871 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 52.5 39.03 27.1 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 127.244 2.218 . . . . 100.0 113.009 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.29 -41.18 90.17 Favored 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 123.33 0.652 . . . . 100.0 111.503 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.03 147.16 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 C-N-CA 123.48 0.712 . . . . 100.0 110.227 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.417 ' CD1' HD12 ' A' ' 62' ' ' LEU . 49.6 m-85 53.51 48.45 21.73 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 126.867 2.067 . . . . 100.0 112.142 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.26 -44.55 93.66 Favored Pre-proline 0 C--N 1.357 0.91 0 CA-C-O 116.698 -1.62 . . . . 100.0 109.208 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.87 151.21 78.54 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.007 1.805 . . . . 100.0 109.252 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.31 132.22 47.29 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.647 0.592 . . . . 100.0 110.436 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.417 HD12 ' CD1' ' A' ' 58' ' ' PHE . 85.0 mt -114.82 -55.11 2.52 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.605 -1.628 . . . . 100.0 106.605 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -130.99 153.4 49.26 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.358 -1.349 . . . . 100.0 107.358 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.3 mtp -63.37 -42.09 98.85 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.421 1.088 . . . . 100.0 111.3 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -82.97 130.1 35.1 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 106.483 -1.673 . . . . 100.0 106.483 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.54 108.75 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 CA-C-O 122.47 1.129 . . . . 100.0 108.435 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.0 t -128.48 133.4 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 1 N-CA-C 100.104 -4.036 . . . . 100.0 100.104 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.88 -41.26 95.78 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.338 -0.986 . . . . 100.0 108.338 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.54 88.27 7.61 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.523 -0.917 . . . . 100.0 108.523 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.3 m -122.56 132.6 54.38 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 104.397 -2.445 . . . . 100.0 104.397 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 . . . . . 0 C--O 1.263 1.765 0 N-CA-C 106.522 -1.659 . . . . 100.0 106.522 179.289 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.525 0 N-CA-C 108.664 -1.774 . . . . 100.0 108.664 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 53.94 51.86 13.97 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 125.223 1.409 . . . . 100.0 111.45 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.85 -54.41 0.68 Allowed 'General case' 0 C--N 1.365 1.273 0 C-N-CA 127.807 2.443 . . . . 100.0 110.204 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.07 167.51 20.05 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 124.895 1.278 . . . . 100.0 109.135 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.56 75.21 10.3 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 106.843 -1.54 . . . . 100.0 106.843 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.93 39.77 26.72 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.569 2.348 . . . . 100.0 114.031 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.263 74.8 p 53.47 36.54 23.45 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.407 2.283 . . . . 100.0 115.952 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -66.24 -39.07 89.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.984 1.313 . . . . 100.0 112.039 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.79 -44.51 90.75 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 114.307 1.225 . . . . 100.0 114.307 -175.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 54.96 37.53 28.98 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 115.975 1.843 . . . . 100.0 115.975 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.631 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.49 20.56 18.05 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 121.053 -1.03 . . . . 100.0 111.946 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 56.03 57.32 5.18 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.508 1.523 . . . . 100.0 114.287 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.817 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.85 124.95 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-O 122.108 0.956 . . . . 100.0 110.892 179.224 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.89 169.27 18.39 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 124.967 1.307 . . . . 100.0 107.522 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.464 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.68 -39.2 90.59 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 125.668 1.587 . . . . 100.0 109.663 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.2 t60 -92.06 -74.42 0.51 Allowed 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.944 -1.132 . . . . 100.0 107.944 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -156.71 -39.52 0.07 Allowed 'General case' 0 C--N 1.367 1.355 0 N-CA-C 115.794 1.775 . . . . 100.0 115.794 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.36 -175.18 4.56 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 116.296 1.961 . . . . 100.0 116.296 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.4 p -71.64 163.22 28.16 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 118.664 -2.522 . . . . 100.0 111.211 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.497 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.54 -23.78 67.16 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 113.06 0.763 . . . . 100.0 113.06 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.46 -41.99 98.63 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.839 -1.171 . . . . 100.0 107.839 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -95.28 9.92 38.02 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 124.682 1.193 . . . . 100.0 112.183 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.86 -43.07 93.97 Favored Pre-proline 0 C--N 1.363 1.17 0 CA-C-O 115.768 -2.063 . . . . 100.0 111.893 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.17 -37.77 81.25 Favored 'Trans proline' 0 C--N 1.379 2.176 0 CA-C-N 122.773 2.026 . . . . 100.0 111.568 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.83 -45.13 90.95 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.368 1.043 . . . . 100.0 109.82 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.18 -42.05 98.91 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.8 1.24 . . . . 100.0 110.751 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.446 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.58 -44.74 93.19 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.8 0.84 . . . . 100.0 110.178 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.89 95.16 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 123.719 0.808 . . . . 100.0 112.219 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.68 -50.38 73.74 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 114.421 1.267 . . . . 100.0 114.421 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.447 HE21 ' HG2' ' A' ' 69' ' ' GLU . 45.9 tt0 -102.65 -26.06 13.33 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 119.374 -0.931 . . . . 100.0 113.389 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.291 87.6 m-85 74.77 -52.56 0.68 Allowed 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 125.779 1.632 . . . . 100.0 114.607 -177.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -62.54 -64.25 0.98 Allowed 'General case' 0 C--N 1.36 1.047 0 CA-C-N 119.105 0.866 . . . . 100.0 110.214 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 71.4 m-80 46.96 45.76 15.54 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 115.849 1.796 . . . . 100.0 115.849 176.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.616 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.79 21.99 77.71 Favored Glycine 0 C--N 1.355 1.599 0 C-N-CA 121.513 -0.375 . . . . 100.0 112.187 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 56.51 41.18 29.04 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 126.873 2.069 . . . . 100.0 112.85 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.525 ' HD1' HG23 ' A' ' 51' ' ' TPO . 30.1 t80 -61.59 -44.77 96.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 127.015 2.126 . . . . 100.0 107.763 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.7 mt -96.49 116.24 28.75 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 104.958 -2.238 . . . . 100.0 104.958 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.08 -34.84 79.37 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 125.299 1.44 . . . . 100.0 113.005 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -57.59 -28.67 63.82 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 127.364 2.266 . . . . 100.0 113.256 -177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.66 -43.36 93.98 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.225 1.41 . . . . 100.0 112.567 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.23 135.74 49.29 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 121.691 0.758 . . . . 100.0 111.538 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.55 -40.61 97.37 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 125.125 1.37 . . . . 100.0 111.968 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -88.9 3.87 49.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 123.634 0.774 . . . . 100.0 112.309 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.7 t-105 75.33 -49.9 0.64 Allowed 'General case' 0 C--N 1.364 1.199 0 C-N-CA 127.416 2.286 . . . . 100.0 111.986 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -94.13 112.12 56.03 Favored Pre-proline 0 N--CA 1.436 -1.167 0 N-CA-C 107.573 -1.269 . . . . 100.0 107.573 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -81.93 169.74 14.5 Favored 'Trans proline' 0 C--N 1.362 1.272 0 C-N-CA 124.996 3.797 . . . . 100.0 112.654 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.37 -43.88 96.37 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 109.091 -0.707 . . . . 100.0 109.091 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -109.77 103.88 12.76 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.545 -0.909 . . . . 100.0 108.545 178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.8 tp -70.22 -40.33 74.6 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.665 -1.152 . . . . 100.0 111.349 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt -63.63 144.45 57.0 Favored 'General case' 0 CA--C 1.489 -1.387 0 N-CA-C 115.163 1.542 . . . . 100.0 115.163 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TPO . . . . . 0.807 HG21 ' O3P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.616 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.2 t70 -69.84 133.79 47.78 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 108.203 -1.036 . . . . 100.0 108.203 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.62 -98.52 2.49 Favored Glycine 0 CA--C 1.485 -1.811 0 N-CA-C 103.562 -3.815 . . . . 100.0 103.562 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -118.75 102.76 9.07 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 107.663 -1.236 . . . . 100.0 107.663 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 52.57 39.9 28.94 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.393 2.277 . . . . 100.0 112.811 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -65.47 -42.05 92.67 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 116.333 -0.394 . . . . 100.0 111.41 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.17 156.64 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 109.378 -0.601 . . . . 100.0 109.378 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 57.04 42.94 25.25 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 126.026 1.73 . . . . 100.0 110.594 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -61.04 -47.39 95.43 Favored Pre-proline 0 C--N 1.36 1.027 0 CA-C-O 116.741 -1.6 . . . . 100.0 110.092 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -73.79 157.42 47.84 Favored 'Trans proline' 0 C--N 1.379 2.153 0 CA-C-N 122.179 1.814 . . . . 100.0 109.336 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -68.8 130.36 42.6 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.157 -1.053 . . . . 100.0 108.157 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.2 tp -118.01 -53.16 2.39 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 107.397 -1.334 . . . . 100.0 107.397 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -128.36 152.53 48.07 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.65 -1.241 . . . . 100.0 107.65 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 91.1 mmm -62.76 -43.22 99.38 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 124.643 1.177 . . . . 100.0 111.679 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -88.22 130.25 35.13 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 105.975 -1.861 . . . . 100.0 105.975 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -95.49 110.16 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-O 122.484 1.135 . . . . 100.0 108.143 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.2 t -129.73 136.19 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 100.311 -3.959 . . . . 100.0 100.311 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -63.84 -41.88 97.73 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.502 -0.925 . . . . 100.0 108.502 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HG2' HE21 ' A' ' 30' ' ' GLN . 53.9 mt-10 -87.64 93.11 9.34 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 108.621 -0.881 . . . . 100.0 108.621 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.3 m -124.52 131.62 53.48 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 104.289 -2.485 . . . . 100.0 104.289 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 . . . . . 0 C--O 1.261 1.67 0 N-CA-C 105.313 -2.106 . . . . 100.0 105.313 179.567 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.497 0 N-CA-C 108.636 -1.786 . . . . 100.0 108.636 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 54.01 51.83 13.95 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.175 1.39 . . . . 100.0 111.464 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.1 m 73.79 -54.36 0.68 Allowed 'General case' 0 C--N 1.364 1.225 0 C-N-CA 127.85 2.46 . . . . 100.0 110.219 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.11 167.5 20.11 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 124.909 1.284 . . . . 100.0 109.109 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.6 75.24 10.31 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 106.836 -1.542 . . . . 100.0 106.836 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.89 39.81 26.69 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 127.518 2.327 . . . . 100.0 114.076 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 75.0 p 53.34 36.63 23.38 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 127.412 2.285 . . . . 100.0 115.972 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -66.31 -39.04 89.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.997 1.319 . . . . 100.0 112.032 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.81 -44.51 90.81 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 114.312 1.227 . . . . 100.0 114.312 -175.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.03 37.54 29.07 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 115.94 1.83 . . . . 100.0 115.94 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.624 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.2 pt20 -109.48 20.46 18.17 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 121.061 -1.024 . . . . 100.0 111.953 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.07 57.3 5.18 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.462 1.505 . . . . 100.0 114.249 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.818 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.8 124.98 61.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 122.114 0.959 . . . . 100.0 110.875 179.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.94 169.29 18.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.442 -1.318 . . . . 100.0 107.442 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.66 -39.22 90.59 Favored 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 125.681 1.593 . . . . 100.0 109.656 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.06 -74.45 0.51 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 107.951 -1.129 . . . . 100.0 107.951 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.72 -39.53 0.07 Allowed 'General case' 0 C--N 1.367 1.34 0 N-CA-C 115.799 1.777 . . . . 100.0 115.799 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.35 -175.18 4.56 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 116.296 1.961 . . . . 100.0 116.296 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.6 p -71.63 163.18 28.24 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 118.69 -2.506 . . . . 100.0 111.186 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.501 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.54 -23.71 67.13 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 113.146 0.795 . . . . 100.0 113.146 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.46 -42.08 98.62 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 107.825 -1.176 . . . . 100.0 107.825 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.16 9.89 37.95 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 124.721 1.208 . . . . 100.0 112.208 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.501 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.0 t -59.88 -43.07 93.94 Favored Pre-proline 0 C--N 1.363 1.161 0 CA-C-O 115.792 -2.051 . . . . 100.0 111.867 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.16 -37.74 81.49 Favored 'Trans proline' 0 C--N 1.381 2.25 0 CA-C-N 122.759 2.021 . . . . 100.0 111.583 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.89 -45.13 90.75 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.293 1.037 . . . . 100.0 109.795 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.15 -41.98 98.81 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 124.724 1.21 . . . . 100.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.425 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.67 -44.7 92.99 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.772 0.829 . . . . 100.0 110.157 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.9 95.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 123.821 0.848 . . . . 100.0 112.243 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.7 -50.37 73.77 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 114.436 1.273 . . . . 100.0 114.436 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -102.82 -22.74 13.84 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 113.813 1.042 . . . . 100.0 113.813 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.305 91.8 m-85 74.48 -55.57 0.65 Allowed 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 116.321 1.971 . . . . 100.0 116.321 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -65.05 -62.79 1.34 Allowed 'General case' 0 C--N 1.363 1.194 0 CA-C-N 120.091 1.314 . . . . 100.0 110.445 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 68.1 m-80 48.24 44.75 19.9 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 115.009 1.485 . . . . 100.0 115.009 176.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.612 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.83 20.69 77.74 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 121.815 -0.553 . . . . 100.0 112.277 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 55.23 41.53 31.32 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 127.151 2.18 . . . . 100.0 113.077 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -61.26 -45.17 95.63 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.998 2.119 . . . . 100.0 107.882 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.0 mt -97.01 116.21 28.82 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 104.763 -2.31 . . . . 100.0 104.763 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.78 -38.07 89.75 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 125.731 1.613 . . . . 100.0 112.653 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.86 -23.11 64.9 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 116.406 2.002 . . . . 100.0 116.406 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -62.52 -41.0 98.56 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.889 0.768 . . . . 100.0 111.576 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.16 136.8 55.64 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.378 0.609 . . . . 100.0 110.748 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.16 -41.87 98.71 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 124.699 1.199 . . . . 100.0 112.792 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -89.11 3.11 52.93 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 123.052 0.541 . . . . 100.0 112.037 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.405 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 89.8 t90 73.52 -44.41 0.58 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.386 2.274 . . . . 100.0 112.569 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -90.22 107.06 17.11 Favored Pre-proline 0 C--N 1.357 0.926 0 N-CA-C 105.298 -2.112 . . . . 100.0 105.298 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 27.3 Cg_endo -81.47 171.32 13.67 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 124.62 3.547 . . . . 100.0 114.314 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -62.01 -46.41 89.32 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.789 1.236 . . . . 100.0 108.444 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.41 106.87 15.48 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 107.915 -1.143 . . . . 100.0 107.915 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.46 -39.76 74.09 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 123.665 0.786 . . . . 100.0 111.579 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.805 ' C ' ' O3P' ' A' ' 51' ' ' TPO . 64.3 mt -62.81 142.83 58.05 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 125.598 1.559 . . . . 100.0 114.908 -177.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TPO . . . . . 1.354 ' O3P' ' N ' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.612 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 16.4 t70 -70.1 134.95 48.72 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.6 -0.889 . . . . 100.0 108.6 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.73 -100.87 2.67 Favored Glycine 0 CA--C 1.487 -1.686 0 N-CA-C 104.859 -3.297 . . . . 100.0 104.859 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -116.23 100.99 8.31 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 106.708 -1.59 . . . . 100.0 106.708 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 52.25 40.12 28.39 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.045 2.138 . . . . 100.0 112.894 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -66.44 -40.76 89.68 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 123.245 0.618 . . . . 100.0 111.224 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.82 150.05 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 C-N-CA 123.994 0.918 . . . . 100.0 109.892 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 54.42 44.66 28.53 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 126.784 2.033 . . . . 100.0 110.824 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.7 -46.07 93.23 Favored Pre-proline 0 C--N 1.364 1.204 0 CA-C-O 116.644 -1.646 . . . . 100.0 108.981 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.01 151.38 67.61 Favored 'Trans proline' 0 C--N 1.386 2.53 0 CA-C-N 122.175 1.813 . . . . 100.0 107.859 176.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.99 131.08 45.65 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 121.53 0.681 . . . . 100.0 111.443 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 tp -116.99 -54.95 2.39 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 105.744 -1.947 . . . . 100.0 105.744 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -131.7 152.26 51.02 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 107.004 -1.48 . . . . 100.0 107.004 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 70.4 mtm -63.25 -42.34 99.18 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.658 1.183 . . . . 100.0 111.03 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.19 128.97 34.95 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 106.112 -1.81 . . . . 100.0 106.112 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.31 106.99 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 107.658 -1.238 . . . . 100.0 107.658 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -128.77 135.89 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 N-CA-C 100.383 -3.932 . . . . 100.0 100.383 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -64.86 -41.91 95.29 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.771 -0.581 . . . . 100.0 109.671 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -85.9 88.05 7.51 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 107.607 -1.257 . . . . 100.0 107.607 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.7 m -121.17 130.93 53.95 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 104.408 -2.441 . . . . 100.0 104.408 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 . . . . . 0 C--O 1.261 1.698 0 N-CA-C 109.183 -0.673 . . . . 100.0 109.183 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.502 0 N-CA-C 108.635 -1.786 . . . . 100.0 108.635 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 53.95 51.85 13.98 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.217 1.407 . . . . 100.0 111.5 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 m 73.89 -54.38 0.68 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 127.766 2.426 . . . . 100.0 110.231 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.53 20.12 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 124.882 1.273 . . . . 100.0 109.108 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.56 75.2 10.3 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 106.843 -1.54 . . . . 100.0 106.843 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.87 39.87 26.74 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 127.613 2.365 . . . . 100.0 114.056 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 73.5 p 53.33 36.61 23.3 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 127.456 2.302 . . . . 100.0 116.001 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -66.22 -39.1 89.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.027 1.331 . . . . 100.0 112.035 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.87 -44.44 91.07 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.309 1.226 . . . . 100.0 114.309 -175.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 55.03 37.44 28.92 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 115.949 1.833 . . . . 100.0 115.949 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.623 ' HG3' HG21 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.44 20.55 18.09 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.995 -1.066 . . . . 100.0 111.925 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.03 57.29 5.2 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.48 1.512 . . . . 100.0 114.266 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.83 124.93 61.27 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-O 122.127 0.965 . . . . 100.0 110.928 179.16 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.87 169.28 18.4 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.016 1.327 . . . . 100.0 107.494 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.17 90.52 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 125.668 1.587 . . . . 100.0 109.694 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.09 -74.39 0.51 Allowed 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.958 -1.127 . . . . 100.0 107.958 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.74 -39.48 0.07 Allowed 'General case' 0 C--N 1.367 1.348 0 N-CA-C 115.836 1.791 . . . . 100.0 115.836 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.31 -175.25 4.58 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 116.338 1.977 . . . . 100.0 116.338 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.3 p -71.58 163.21 28.17 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 118.678 -2.513 . . . . 100.0 111.236 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.2 m-85 -62.6 -23.74 67.2 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 113.037 0.754 . . . . 100.0 113.037 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.45 -42.02 98.63 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 107.81 -1.181 . . . . 100.0 107.81 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.24 9.86 38.2 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 124.682 1.193 . . . . 100.0 112.158 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.85 -43.06 94.0 Favored Pre-proline 0 C--N 1.362 1.129 0 CA-C-O 115.784 -2.055 . . . . 100.0 111.928 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.21 -37.68 81.53 Favored 'Trans proline' 0 C--N 1.38 2.207 0 CA-C-N 122.76 2.021 . . . . 100.0 111.612 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.86 -45.17 90.66 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.287 1.035 . . . . 100.0 109.776 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.14 -42.01 98.83 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 124.749 1.219 . . . . 100.0 110.8 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.422 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.65 -44.7 93.07 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 123.748 0.819 . . . . 100.0 110.19 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.88 95.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 123.785 0.834 . . . . 100.0 112.261 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.73 -50.52 73.13 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 114.382 1.253 . . . . 100.0 114.382 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -102.26 -25.48 13.66 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 113.59 0.959 . . . . 100.0 113.59 -177.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.311 90.8 m-85 74.58 -53.33 0.68 Allowed 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 115.45 1.648 . . . . 100.0 115.45 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 99.6 mtt180 -63.92 -62.36 1.69 Allowed 'General case' 0 C--N 1.363 1.167 0 CA-C-N 119.984 1.265 . . . . 100.0 110.17 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 59.4 m-80 48.65 42.98 20.24 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.484 1.513 . . . . 100.0 114.636 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.595 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.08 21.63 78.85 Favored Glycine 0 C--N 1.355 1.638 0 O-C-N 121.88 -0.513 . . . . 100.0 111.852 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 56.22 40.31 30.03 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 127.22 2.208 . . . . 100.0 114.265 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -62.77 -43.01 99.92 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 125.83 1.652 . . . . 100.0 107.51 177.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 tp -95.14 113.14 24.8 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 105.6 -2.0 . . . . 100.0 105.6 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.39 -36.96 85.83 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 126.469 1.908 . . . . 100.0 113.016 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.98 -32.11 65.75 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 127.541 2.336 . . . . 100.0 114.209 -176.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 66.5 t80 -59.61 -43.57 93.73 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 113.401 0.889 . . . . 100.0 113.401 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.16 136.03 55.37 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 121.691 0.758 . . . . 100.0 110.558 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.05 -42.26 98.99 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 125.056 1.342 . . . . 100.0 112.286 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.79 0.67 54.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 123.579 0.752 . . . . 100.0 111.584 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . 0.256 89.7 t90 74.24 -47.11 0.63 Allowed 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.334 2.254 . . . . 100.0 112.912 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -86.79 108.62 19.11 Favored Pre-proline 0 N--CA 1.438 -1.048 0 N-CA-C 105.792 -1.929 . . . . 100.0 105.792 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.59 164.23 21.09 Favored 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.877 3.052 . . . . 100.0 113.205 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -66.22 -41.52 89.99 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 108.299 -1.0 . . . . 100.0 108.299 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -109.63 104.76 13.82 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 106.635 -1.617 . . . . 100.0 106.635 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.42 -41.33 73.06 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 124.461 1.104 . . . . 100.0 112.968 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.2 mt -64.85 146.11 55.34 Favored 'General case' 0 CA--C 1.489 -1.4 0 N-CA-C 115.502 1.668 . . . . 100.0 115.502 -177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TPO . . . . . 0.968 HG22 ' O1P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.595 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 8.7 t70 -72.64 135.55 45.49 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 107.948 -1.13 . . . . 100.0 107.948 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.44 -101.4 2.7 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 104.161 -3.576 . . . . 100.0 104.161 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -115.47 102.92 10.26 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 106.228 -1.768 . . . . 100.0 106.228 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 52.08 41.19 29.79 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 126.645 1.978 . . . . 100.0 113.299 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -65.57 -42.06 92.19 Favored 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 122.467 0.307 . . . . 100.0 111.779 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -73.99 150.71 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-O 121.295 0.569 . . . . 100.0 109.766 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 54.59 42.56 31.21 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.795 2.038 . . . . 100.0 112.195 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.6 -44.92 88.3 Favored Pre-proline 0 C--N 1.36 1.049 0 CA-C-O 117.057 -1.449 . . . . 100.0 109.986 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -71.89 157.84 54.08 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.206 1.937 . . . . 100.0 109.026 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.21 130.3 43.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.296 0.569 . . . . 100.0 109.828 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.4 tp -117.91 -55.69 2.24 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 106.329 -1.73 . . . . 100.0 106.329 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -130.92 153.86 48.72 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 107.409 -1.33 . . . . 100.0 107.409 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.3 mtp -62.88 -41.98 99.61 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 124.113 0.965 . . . . 100.0 112.148 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -83.32 129.96 35.03 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 105.769 -1.937 . . . . 100.0 105.769 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.2 t -102.62 109.18 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 CA-C-O 122.458 1.123 . . . . 100.0 108.452 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.8 t -133.27 139.85 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 N-CA-C 101.954 -3.35 . . . . 100.0 101.954 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.62 -42.06 95.75 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 109.107 -0.701 . . . . 100.0 109.107 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -87.25 84.81 7.18 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 108.901 -0.778 . . . . 100.0 108.901 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.9 m -124.58 131.25 53.48 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 105.881 -1.896 . . . . 100.0 105.881 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.261 1.678 0 N-CA-C 106.373 -1.714 . . . . 100.0 106.373 179.753 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.471 0 N-CA-C 108.681 -1.767 . . . . 100.0 108.681 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 53.97 51.87 13.92 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.215 1.406 . . . . 100.0 111.463 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 m 73.8 -54.32 0.68 Allowed 'General case' 0 C--N 1.365 1.279 0 C-N-CA 127.783 2.433 . . . . 100.0 110.26 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.15 167.53 20.09 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 124.947 1.299 . . . . 100.0 109.065 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.62 75.19 10.32 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.873 -1.529 . . . . 100.0 106.873 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.96 39.78 26.83 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.56 2.344 . . . . 100.0 114.045 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 73.5 p 53.45 36.55 23.46 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 127.463 2.305 . . . . 100.0 115.932 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -39.1 89.31 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.007 1.323 . . . . 100.0 112.012 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.71 -44.59 90.43 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 114.304 1.224 . . . . 100.0 114.304 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 55.06 37.46 28.95 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 115.91 1.818 . . . . 100.0 115.91 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.633 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.44 20.56 18.07 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 121.049 -1.032 . . . . 100.0 111.975 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.01 57.33 5.19 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.468 1.507 . . . . 100.0 114.301 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.865 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.84 124.95 61.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 122.123 0.963 . . . . 100.0 110.918 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.87 169.31 18.37 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.017 1.327 . . . . 100.0 107.504 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.464 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.69 -39.18 90.54 Favored 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 125.64 1.576 . . . . 100.0 109.723 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.05 -74.47 0.51 Allowed 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 107.947 -1.131 . . . . 100.0 107.947 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.67 -39.45 0.08 Allowed 'General case' 0 C--N 1.368 1.376 0 N-CA-C 115.769 1.766 . . . . 100.0 115.769 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.4 -175.21 4.6 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 116.276 1.954 . . . . 100.0 116.276 -175.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.3 p -71.7 163.24 28.14 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 118.702 -2.499 . . . . 100.0 111.17 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.55 -23.74 67.15 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 113.085 0.772 . . . . 100.0 113.085 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.47 -42.01 98.58 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 107.847 -1.168 . . . . 100.0 107.847 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.22 9.85 38.2 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 124.705 1.202 . . . . 100.0 112.197 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.83 -43.05 94.04 Favored Pre-proline 0 C--N 1.362 1.125 0 CA-C-O 115.803 -2.046 . . . . 100.0 111.902 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.17 -37.79 81.07 Favored 'Trans proline' 0 C--N 1.381 2.259 0 CA-C-N 122.788 2.031 . . . . 100.0 111.588 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 -45.12 90.94 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 124.319 1.047 . . . . 100.0 109.8 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.4 m -62.14 -42.02 98.83 Favored 'General case' 0 CA--C 1.5 -0.961 0 C-N-CA 124.769 1.228 . . . . 100.0 110.814 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.451 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.69 -44.6 93.21 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.718 0.807 . . . . 100.0 110.215 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.82 94.97 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 123.734 0.814 . . . . 100.0 112.25 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.77 -51.89 67.42 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 114.396 1.258 . . . . 100.0 114.396 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -99.64 -25.58 14.36 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 114.022 1.119 . . . . 100.0 114.022 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 74.12 -52.98 0.69 Allowed 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 126.325 1.85 . . . . 100.0 113.659 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.5 ttm105 -62.46 -65.38 0.7 Allowed 'General case' 0 C--N 1.363 1.173 0 CA-C-N 119.321 0.964 . . . . 100.0 109.907 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 72.9 m-80 47.99 44.23 18.52 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 116.063 1.875 . . . . 100.0 116.063 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.72 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.51 21.85 78.19 Favored Glycine 0 C--N 1.354 1.544 0 N-CA-C 112.035 -0.426 . . . . 100.0 112.035 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 76.2 m-85 56.81 41.24 28.35 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 127.34 2.256 . . . . 100.0 113.07 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.15 -45.75 93.36 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.673 1.989 . . . . 100.0 108.149 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.2 mt -94.07 114.7 26.91 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 104.697 -2.334 . . . . 100.0 104.697 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.68 -37.01 86.12 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 126.164 1.786 . . . . 100.0 112.453 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -60.22 -24.67 65.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 126.294 1.838 . . . . 100.0 115.092 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -60.44 -43.71 96.55 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.522 1.529 . . . . 100.0 111.916 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.42 137.19 55.72 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.864 0.84 . . . . 100.0 111.517 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.86 -42.25 99.68 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.971 1.708 . . . . 100.0 112.068 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -86.89 -1.76 58.07 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.881 0.872 . . . . 100.0 111.308 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.422 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 89.8 t90 75.52 -44.77 0.53 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.25 3.02 . . . . 100.0 109.954 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -87.4 107.45 15.08 Favored Pre-proline 0 N--CA 1.439 -1.013 0 N-CA-C 106.576 -1.639 . . . . 100.0 106.576 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 30.3 Cg_endo -81.99 165.03 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.436 0 C-N-CA 123.971 3.114 . . . . 100.0 112.628 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -65.48 -42.24 92.43 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 108.698 -0.853 . . . . 100.0 108.698 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 12.1 tp10 -107.42 102.16 11.46 Favored 'General case' 0 C--N 1.362 1.138 0 N-CA-C 107.225 -1.398 . . . . 100.0 107.225 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.29 -40.76 74.09 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 115.245 -0.889 . . . . 100.0 113.169 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 CA--C 1.489 -1.377 0 N-CA-C 114.994 1.479 . . . . 100.0 114.994 -177.309 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.72 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.2 t70 . . . . . 0 N--CA 1.438 -1.029 0 N-CA-C 108.758 -0.83 . . . . 100.0 108.758 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.27 -100.58 2.66 Favored Glycine 0 CA--C 1.49 -1.479 0 N-CA-C 104.891 -3.284 . . . . 100.0 104.891 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -114.96 102.27 9.8 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 107.512 -1.292 . . . . 100.0 107.512 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 51.59 40.76 27.83 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.023 2.129 . . . . 100.0 112.581 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -65.34 -42.44 92.89 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 122.647 0.379 . . . . 100.0 111.893 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.4 p -73.02 147.24 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-O 121.623 0.725 . . . . 100.0 110.231 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CD1' HD11 ' A' ' 62' ' ' LEU . 38.4 m-85 53.34 45.94 27.39 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 126.992 2.117 . . . . 100.0 111.653 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.55 -44.62 92.52 Favored Pre-proline 0 N--CA 1.44 -0.961 0 CA-C-O 116.979 -1.486 . . . . 100.0 109.807 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -69.32 150.0 70.36 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 121.921 1.747 . . . . 100.0 108.305 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.82 130.91 44.69 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 123.565 0.54 . . . . 100.0 111.062 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 58' ' ' PHE . 84.1 mt -116.39 -54.17 2.48 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 107.374 -1.343 . . . . 100.0 107.374 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -125.21 149.5 47.9 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 124.126 0.971 . . . . 100.0 108.755 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.0 mtm -63.64 -41.93 98.2 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.92 1.288 . . . . 100.0 110.379 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.76 128.47 34.81 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 105.483 -2.043 . . . . 100.0 105.483 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -96.64 110.68 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-O 122.582 1.182 . . . . 100.0 107.934 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.1 t -128.04 132.76 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 1 N-CA-C 99.856 -4.127 . . . . 100.0 99.856 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.38 -42.35 96.19 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 109.113 -0.699 . . . . 100.0 109.113 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -95.16 98.53 10.7 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 106.913 -1.514 . . . . 100.0 106.913 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -132.62 140.31 48.15 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 105.038 -2.208 . . . . 100.0 105.038 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 . . . . . 0 C--O 1.26 1.654 0 N-CA-C 105.001 -2.222 . . . . 100.0 105.001 178.912 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.476 0 N-CA-C 108.647 -1.781 . . . . 100.0 108.647 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 54.01 51.82 13.97 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 125.151 1.38 . . . . 100.0 111.461 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.38 0.68 Allowed 'General case' 0 C--N 1.364 1.234 0 C-N-CA 127.797 2.439 . . . . 100.0 110.248 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.47 20.24 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 124.924 1.29 . . . . 100.0 109.091 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.59 75.3 10.3 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 106.852 -1.536 . . . . 100.0 106.852 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.8 39.9 26.57 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.558 2.343 . . . . 100.0 114.07 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 74.2 p 53.33 36.61 23.3 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.445 2.298 . . . . 100.0 115.952 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -66.23 -39.1 89.32 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.015 1.326 . . . . 100.0 112.05 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.81 -44.52 90.82 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 114.297 1.221 . . . . 100.0 114.297 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.03 37.48 28.98 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 115.976 1.843 . . . . 100.0 115.976 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.631 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.49 20.57 18.05 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.067 -1.021 . . . . 100.0 111.942 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.94 57.38 5.19 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.515 1.526 . . . . 100.0 114.257 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.875 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.86 124.98 61.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 CA-C-O 122.123 0.963 . . . . 100.0 110.881 179.148 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.4 t -163.92 169.31 18.29 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.436 -1.32 . . . . 100.0 107.436 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.72 -39.18 90.59 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 125.667 1.587 . . . . 100.0 109.661 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.1 t60 -92.05 -74.42 0.51 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 107.966 -1.124 . . . . 100.0 107.966 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.72 -39.48 0.07 Allowed 'General case' 0 C--N 1.368 1.372 0 N-CA-C 115.774 1.768 . . . . 100.0 115.774 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.38 -175.18 4.57 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 116.299 1.963 . . . . 100.0 116.299 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.2 p -71.68 163.19 28.23 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 118.726 -2.484 . . . . 100.0 111.223 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.2 m-85 -62.54 -23.73 67.13 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 113.096 0.776 . . . . 100.0 113.096 178.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.49 -42.01 98.55 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 107.801 -1.185 . . . . 100.0 107.801 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.23 9.84 38.24 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 124.695 1.198 . . . . 100.0 112.194 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.482 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.0 t -59.92 -43.01 93.64 Favored Pre-proline 0 C--N 1.363 1.177 0 CA-C-O 115.749 -2.072 . . . . 100.0 111.852 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 -37.7 81.46 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-N 122.815 2.041 . . . . 100.0 111.623 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.86 -45.19 90.58 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 124.324 1.05 . . . . 100.0 109.778 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.4 m -62.09 -42.02 98.78 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 124.751 1.221 . . . . 100.0 110.827 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.425 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.62 -44.73 93.08 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 123.739 0.816 . . . . 100.0 110.227 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.98 95.5 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 123.845 0.858 . . . . 100.0 112.217 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.72 -51.5 69.11 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 114.423 1.268 . . . . 100.0 114.423 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.545 HE21 ' HG2' ' A' ' 69' ' ' GLU . 42.7 tt0 -98.55 -24.52 15.09 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 113.284 0.846 . . . . 100.0 113.284 -177.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 75.58 -54.23 0.63 Allowed 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 126.46 1.904 . . . . 100.0 113.739 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -63.29 -64.7 0.83 Allowed 'General case' 0 C--N 1.365 1.245 0 CA-C-N 119.535 1.061 . . . . 100.0 110.45 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 73.2 m-80 46.11 46.63 12.96 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 116.045 1.869 . . . . 100.0 116.045 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.733 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.09 22.19 76.93 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 112.414 -0.274 . . . . 100.0 112.414 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 56.65 39.44 29.77 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 126.863 2.065 . . . . 100.0 113.49 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -62.89 -42.99 99.97 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 124.821 1.248 . . . . 100.0 107.738 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.8 mt -92.15 114.21 26.69 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 105.22 -2.141 . . . . 100.0 105.22 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.98 -36.79 85.52 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.111 1.364 . . . . 100.0 113.399 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.39 -29.25 63.92 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 126.468 1.907 . . . . 100.0 114.592 -177.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.86 -42.12 92.98 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.274 1.03 . . . . 100.0 112.086 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.38 136.05 47.57 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.804 0.812 . . . . 100.0 111.343 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.86 -39.68 94.77 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.073 1.349 . . . . 100.0 112.298 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.31 0.22 49.96 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 123.557 0.743 . . . . 100.0 112.248 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 75.76 -49.05 0.61 Allowed 'General case' 0 C--N 1.368 1.392 0 C-N-CA 126.423 1.889 . . . . 100.0 111.638 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -96.55 111.58 57.49 Favored Pre-proline 0 N--CA 1.435 -1.216 0 N-CA-C 106.672 -1.603 . . . . 100.0 106.672 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -81.28 170.74 14.52 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 125.002 3.801 . . . . 100.0 113.063 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -62.1 -44.84 95.78 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.885 -0.783 . . . . 100.0 108.885 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -110.03 104.96 13.92 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 108.194 -1.039 . . . . 100.0 108.194 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.7 tp -70.34 -40.8 73.91 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 123.856 0.862 . . . . 100.0 111.534 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 CA--C 1.49 -1.347 0 N-CA-C 116.342 1.979 . . . . 100.0 116.342 -177.569 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.733 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 16.4 t70 . . . . . 0 N--CA 1.44 -0.956 0 N-CA-C 108.097 -1.075 . . . . 100.0 108.097 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.77 -100.61 2.66 Favored Glycine 0 CA--C 1.487 -1.684 0 N-CA-C 104.641 -3.384 . . . . 100.0 104.641 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -118.31 101.16 7.98 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.671 -1.603 . . . . 100.0 106.671 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 52.82 40.62 30.99 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.779 2.031 . . . . 100.0 113.214 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -66.04 -40.77 91.27 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 116.175 -0.466 . . . . 100.0 111.221 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.42 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 8.2 p -71.8 144.89 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 C-N-CA 123.518 0.727 . . . . 100.0 110.278 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.338 94.1 m-85 52.6 48.06 23.35 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 126.012 1.725 . . . . 100.0 113.722 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.76 -45.94 92.92 Favored Pre-proline 0 C--N 1.357 0.925 0 CA-C-O 116.87 -1.538 . . . . 100.0 109.024 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.23 158.23 52.24 Favored 'Trans proline' 0 C--N 1.387 2.586 0 C-N-CA 122.099 1.866 . . . . 100.0 109.158 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.06 131.67 49.37 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 121.709 0.766 . . . . 100.0 110.167 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.4 tp -120.31 -58.78 1.83 Allowed 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 106.01 -1.848 . . . . 100.0 106.01 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -130.52 150.72 51.6 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 107.883 -1.154 . . . . 100.0 107.883 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.6 mmm -64.35 -40.87 96.72 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 124.231 1.012 . . . . 100.0 110.801 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -85.69 129.08 34.92 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 105.207 -2.146 . . . . 100.0 105.207 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -99.36 108.51 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 CA-C-O 122.424 1.107 . . . . 100.0 108.027 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.6 t -130.68 134.8 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 100.577 -3.86 . . . . 100.0 100.577 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -64.04 -42.35 97.09 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 109.017 -0.735 . . . . 100.0 109.017 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.545 ' HG2' HE21 ' A' ' 30' ' ' GLN . 73.3 mt-10 -86.7 81.16 8.31 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.549 0.69 . . . . 100.0 109.459 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.4 m -129.78 131.05 46.09 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 105.914 -1.884 . . . . 100.0 105.914 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--O 1.258 1.548 0 N-CA-C 105.489 -2.041 . . . . 100.0 105.489 178.958 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.523 0 N-CA-C 108.649 -1.78 . . . . 100.0 108.649 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 53.91 51.92 13.89 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.188 1.395 . . . . 100.0 111.46 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.3 m 73.73 -54.35 0.68 Allowed 'General case' 0 C--N 1.366 1.285 0 C-N-CA 127.796 2.438 . . . . 100.0 110.255 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 167.51 20.1 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.945 1.298 . . . . 100.0 109.111 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.58 75.25 10.3 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.89 -1.522 . . . . 100.0 106.89 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.88 39.77 26.58 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 127.567 2.347 . . . . 100.0 114.089 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 74.2 p 53.42 36.61 23.52 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 127.469 2.308 . . . . 100.0 115.916 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -66.19 -39.14 89.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.061 1.344 . . . . 100.0 112.047 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.87 -44.4 91.06 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 114.304 1.224 . . . . 100.0 114.304 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 54.92 37.56 28.95 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 115.942 1.83 . . . . 100.0 115.942 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.626 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.47 20.53 18.1 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 121.049 -1.032 . . . . 100.0 111.916 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.03 57.32 5.18 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.5 1.52 . . . . 100.0 114.279 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.863 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.82 124.92 61.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 122.087 0.946 . . . . 100.0 110.891 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.9 169.3 18.33 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.474 -1.306 . . . . 100.0 107.474 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.66 -39.2 90.51 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.647 1.579 . . . . 100.0 109.719 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.1 t60 -92.04 -74.46 0.51 Allowed 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 107.955 -1.128 . . . . 100.0 107.955 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.65 -39.46 0.08 Allowed 'General case' 0 C--N 1.368 1.381 0 N-CA-C 115.85 1.796 . . . . 100.0 115.85 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.42 -175.21 4.6 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 116.272 1.953 . . . . 100.0 116.272 -175.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.3 p -71.62 163.19 28.22 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 118.658 -2.526 . . . . 100.0 111.242 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.5 -23.74 67.11 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 113.117 0.784 . . . . 100.0 113.117 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.48 -42.05 98.58 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 107.83 -1.174 . . . . 100.0 107.83 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.21 9.84 38.23 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 124.704 1.202 . . . . 100.0 112.181 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.2 t -59.83 -43.05 94.07 Favored Pre-proline 0 C--N 1.362 1.151 0 CA-C-O 115.816 -2.04 . . . . 100.0 111.916 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.21 -37.69 81.4 Favored 'Trans proline' 0 C--N 1.381 2.239 0 CA-C-N 122.77 2.025 . . . . 100.0 111.604 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.87 -45.18 90.6 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 124.333 1.053 . . . . 100.0 109.755 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.14 -42.05 98.87 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 124.757 1.223 . . . . 100.0 110.806 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.425 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.56 -44.71 93.37 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 123.734 0.814 . . . . 100.0 110.219 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.96 95.39 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 123.841 0.856 . . . . 100.0 112.234 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.65 -51.53 68.98 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 114.433 1.271 . . . . 100.0 114.433 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.49 HE21 ' HG2' ' A' ' 69' ' ' GLU . 40.8 tt0 -100.56 -23.42 14.69 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 119.068 -1.053 . . . . 100.0 113.524 -177.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 74.56 -54.79 0.67 Allowed 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 125.506 1.522 . . . . 100.0 114.317 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.19 -64.57 0.85 Allowed 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.211 0.914 . . . . 100.0 109.742 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 74.3 m-80 47.91 45.03 18.85 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 115.894 1.813 . . . . 100.0 115.894 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.706 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.91 20.14 78.13 Favored Glycine 0 C--N 1.353 1.507 0 N-CA-C 111.638 -0.585 . . . . 100.0 111.638 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 55.43 42.6 29.82 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 127.008 2.123 . . . . 100.0 112.463 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -61.11 -45.87 92.91 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 128.691 2.796 . . . . 100.0 107.08 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -98.07 116.8 31.03 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 105.139 -2.171 . . . . 100.0 105.139 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.74 -36.26 83.72 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.635 1.574 . . . . 100.0 112.663 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -58.51 -27.26 64.32 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 125.934 1.694 . . . . 100.0 114.894 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.59 -42.41 96.69 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 123.403 0.681 . . . . 100.0 112.538 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -72.92 134.73 44.89 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.483 0.659 . . . . 100.0 110.678 -177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.18 -39.42 94.59 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 124.543 1.137 . . . . 100.0 112.413 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.68 -2.94 48.81 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.05 1.34 . . . . 100.0 111.783 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 75.39 -49.42 0.63 Allowed 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.316 2.647 . . . . 100.0 110.681 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -92.85 112.23 54.91 Favored Pre-proline 0 N--CA 1.437 -1.095 0 N-CA-C 107.269 -1.382 . . . . 100.0 107.269 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -82.72 172.15 11.41 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 124.972 3.781 . . . . 100.0 112.36 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -62.91 -44.39 96.21 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 123.509 0.724 . . . . 100.0 109.311 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -109.14 104.31 13.46 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 107.628 -1.249 . . . . 100.0 107.628 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.57 -40.58 73.22 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.269 -0.878 . . . . 100.0 111.424 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 CA--C 1.49 -1.358 0 N-CA-C 115.717 1.747 . . . . 100.0 115.717 -177.532 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.706 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.4 t70 . . . . . 0 N--CA 1.441 -0.883 0 N-CA-C 108.725 -0.842 . . . . 100.0 108.725 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.94 -98.85 2.56 Favored Glycine 0 CA--C 1.49 -1.531 0 N-CA-C 105.065 -3.214 . . . . 100.0 105.065 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -118.48 102.8 9.19 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 106.916 -1.513 . . . . 100.0 106.916 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 52.93 38.37 26.85 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 126.972 2.109 . . . . 100.0 112.554 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -65.63 -42.02 91.98 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 112.491 0.552 . . . . 100.0 112.491 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.404 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 6.6 p -72.82 151.77 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.187 0 CA-C-O 121.38 0.61 . . . . 100.0 110.686 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 53.77 47.23 24.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 127.407 2.283 . . . . 100.0 110.335 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.97 -46.53 96.71 Favored Pre-proline 0 C--N 1.36 1.029 0 CA-C-O 116.523 -1.703 . . . . 100.0 109.414 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.92 146.98 54.39 Favored 'Trans proline' 0 C--N 1.383 2.356 0 CA-C-N 122.315 1.862 . . . . 100.0 107.843 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -71.42 131.87 43.97 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 112.618 0.599 . . . . 100.0 112.618 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.8 mt -115.32 -49.72 2.76 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 107.782 -1.192 . . . . 100.0 107.782 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -120.87 145.35 47.73 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.326 -0.99 . . . . 100.0 108.326 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.9 mtp -64.18 -41.99 96.88 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.384 1.074 . . . . 100.0 110.462 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -83.51 131.28 35.01 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 106.746 -1.576 . . . . 100.0 106.746 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.33 109.85 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 108.235 -1.024 . . . . 100.0 108.235 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.7 t -130.2 133.37 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 1 N-CA-C 100.045 -4.057 . . . . 100.0 100.045 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -64.72 -40.86 96.05 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 108.53 -0.915 . . . . 100.0 108.53 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.49 ' HG2' HE21 ' A' ' 30' ' ' GLN . 83.1 mt-10 -85.19 90.79 7.97 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.338 -1.356 . . . . 100.0 107.338 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.5 m -113.09 127.89 56.34 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 104.338 -2.467 . . . . 100.0 104.338 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 C--O 1.261 1.697 0 N-CA-C 107.354 -1.35 . . . . 100.0 107.354 -179.545 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.497 0 N-CA-C 108.632 -1.787 . . . . 100.0 108.632 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 54.02 51.84 13.92 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 125.216 1.406 . . . . 100.0 111.444 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.35 0.68 Allowed 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.818 2.447 . . . . 100.0 110.272 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 167.5 20.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 124.935 1.294 . . . . 100.0 109.095 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.54 75.18 10.3 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.899 -1.519 . . . . 100.0 106.899 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.97 39.79 26.88 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 127.539 2.336 . . . . 100.0 114.032 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 74.3 p 53.31 36.63 23.3 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.491 2.316 . . . . 100.0 116.001 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.24 -39.1 89.3 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.038 1.335 . . . . 100.0 111.998 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.79 -44.55 90.77 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.285 1.217 . . . . 100.0 114.285 -175.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 54.99 37.52 29.04 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 115.964 1.838 . . . . 100.0 115.964 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.629 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.47 20.54 18.08 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 121.081 -1.012 . . . . 100.0 111.963 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.05 57.27 5.21 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.509 1.524 . . . . 100.0 114.275 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.864 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.77 124.9 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-O 122.055 0.931 . . . . 100.0 110.937 179.201 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.91 169.26 18.37 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.467 -1.308 . . . . 100.0 107.467 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.65 -39.23 90.63 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 125.641 1.576 . . . . 100.0 109.642 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 68.9 t60 -91.99 -74.45 0.51 Allowed 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 107.973 -1.121 . . . . 100.0 107.973 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.7 -39.51 0.07 Allowed 'General case' 0 C--N 1.368 1.383 0 N-CA-C 115.797 1.777 . . . . 100.0 115.797 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.36 -175.18 4.57 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 116.323 1.971 . . . . 100.0 116.323 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 p -71.69 163.18 28.26 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 118.681 -2.512 . . . . 100.0 111.201 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.487 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.5 m-85 -62.54 -23.63 67.08 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 113.142 0.793 . . . . 100.0 113.142 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.54 -42.02 98.44 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 107.814 -1.18 . . . . 100.0 107.814 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.25 9.88 38.15 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 124.718 1.207 . . . . 100.0 112.182 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.87 -43.06 93.94 Favored Pre-proline 0 C--N 1.362 1.124 0 CA-C-O 115.769 -2.062 . . . . 100.0 111.867 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.24 -37.69 81.15 Favored 'Trans proline' 0 C--N 1.38 2.219 0 CA-C-N 122.781 2.029 . . . . 100.0 111.565 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.89 -45.15 90.67 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 124.311 1.044 . . . . 100.0 109.743 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.14 -42.03 98.84 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.768 1.227 . . . . 100.0 110.767 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -63.64 -44.73 92.98 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.776 0.83 . . . . 100.0 110.183 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.94 95.37 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 123.811 0.845 . . . . 100.0 112.239 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.63 -49.65 76.67 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 114.41 1.263 . . . . 100.0 114.41 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -104.97 -22.76 13.07 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 116.255 1.946 . . . . 100.0 116.255 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.261 89.4 m-85 72.68 -55.57 0.67 Allowed 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 116.26 1.948 . . . . 100.0 116.26 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -64.34 -62.81 1.37 Allowed 'General case' 0 C--N 1.361 1.075 0 CA-C-N 118.998 0.817 . . . . 100.0 109.713 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . 0.262 75.5 m-80 46.02 46.82 12.74 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 116.749 2.129 . . . . 100.0 116.749 177.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.72 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.46 19.31 79.47 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 112.075 -0.41 . . . . 100.0 112.075 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.253 90.8 m-85 56.11 41.82 29.08 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 127.088 2.155 . . . . 100.0 113.911 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -61.52 -45.2 95.18 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 126.506 1.922 . . . . 100.0 108.006 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.07 113.84 25.89 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 104.424 -2.436 . . . . 100.0 104.424 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.94 -26.24 65.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.923 1.289 . . . . 100.0 111.914 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.44 -36.2 73.28 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 128.718 2.807 . . . . 100.0 112.465 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -59.97 -41.26 91.59 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.358 1.063 . . . . 100.0 112.788 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.02 133.74 48.53 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 121.748 0.785 . . . . 100.0 109.951 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.09 -39.52 94.94 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 125.096 1.358 . . . . 100.0 112.28 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -90.28 7.79 36.57 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 123.716 0.806 . . . . 100.0 112.931 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 74.57 -53.01 0.68 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 126.602 1.961 . . . . 100.0 112.653 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -95.26 112.15 57.58 Favored Pre-proline 0 C--N 1.358 0.957 0 CA-C-N 119.469 1.031 . . . . 100.0 110.599 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -81.51 171.77 13.16 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 125.012 3.808 . . . . 100.0 112.081 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.84 -43.41 98.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.91 0.756 . . . . 100.0 110.691 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -108.92 102.35 11.37 Favored 'General case' 0 CA--C 1.494 -1.198 0 N-CA-C 107.134 -1.432 . . . . 100.0 107.134 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -70.57 -40.44 73.32 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.461 -1.245 . . . . 100.0 112.435 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 N--CA 1.432 -1.354 0 N-CA-C 114.934 1.457 . . . . 100.0 114.934 -178.201 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.72 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 12.6 t70 . . . . . 0 N--CA 1.436 -1.134 0 N-CA-C 108.108 -1.071 . . . . 100.0 108.108 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.52 -100.24 2.64 Favored Glycine 0 CA--C 1.485 -1.786 0 N-CA-C 104.187 -3.565 . . . . 100.0 104.187 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -116.06 103.64 10.77 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 107.351 -1.351 . . . . 100.0 107.351 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 51.61 40.74 27.83 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 126.749 2.019 . . . . 100.0 113.368 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -65.74 -41.65 91.94 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 122.814 0.446 . . . . 100.0 111.71 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 9.0 p -73.59 151.53 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.145 0 C-N-CA 123.623 0.769 . . . . 100.0 109.726 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 55.06 43.86 29.0 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 126.536 1.934 . . . . 100.0 111.157 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.21 -46.26 95.62 Favored Pre-proline 0 C--N 1.361 1.105 0 CA-C-O 116.969 -1.491 . . . . 100.0 111.102 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -72.77 159.36 48.62 Favored 'Trans proline' 0 C--N 1.379 2.139 0 CA-C-N 122.114 1.791 . . . . 100.0 109.449 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -64.08 131.35 47.25 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 121.222 0.534 . . . . 100.0 111.761 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.6 tp -115.54 -59.05 2.05 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 104.295 -2.483 . . . . 100.0 104.295 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -133.51 153.49 51.6 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 123.922 0.889 . . . . 100.0 108.676 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 87.0 mtp -64.13 -41.46 97.21 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.447 0.699 . . . . 100.0 111.798 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -81.24 128.33 33.67 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 105.446 -2.057 . . . . 100.0 105.446 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -99.83 111.45 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-O 122.772 1.272 . . . . 100.0 109.284 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.06 134.51 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 N-CA-C 100.88 -3.748 . . . . 100.0 100.88 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.18 -41.75 94.29 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.691 -0.855 . . . . 100.0 108.691 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -86.49 85.01 7.3 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.255 -1.017 . . . . 100.0 108.255 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -125.01 134.7 52.48 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 106.381 -1.711 . . . . 100.0 106.381 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 . . . . . 0 C--O 1.26 1.657 0 CA-C-N 114.808 -1.087 . . . . 100.0 108.796 179.673 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.479 0 N-CA-C 108.654 -1.778 . . . . 100.0 108.654 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t 53.96 51.84 13.98 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.174 1.39 . . . . 100.0 111.468 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.7 m 73.88 -54.39 0.68 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.776 2.43 . . . . 100.0 110.264 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.17 167.53 20.1 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 124.907 1.283 . . . . 100.0 109.114 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.6 75.27 10.31 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 106.851 -1.537 . . . . 100.0 106.851 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.89 39.84 26.73 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.549 2.339 . . . . 100.0 114.043 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.262 73.7 p 53.38 36.56 23.3 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 127.464 2.306 . . . . 100.0 115.944 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -66.22 -39.08 89.33 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.035 1.334 . . . . 100.0 112.078 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.74 -44.52 90.52 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.367 1.247 . . . . 100.0 114.367 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 54.98 37.53 29.02 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.941 1.83 . . . . 100.0 115.941 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.631 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.43 20.47 18.18 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.029 -1.044 . . . . 100.0 111.962 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.09 57.26 5.19 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.456 1.502 . . . . 100.0 114.259 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.868 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.78 124.95 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-O 122.101 0.953 . . . . 100.0 110.911 179.18 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.9 169.33 18.29 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.46 -1.311 . . . . 100.0 107.46 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.18 90.54 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.642 1.577 . . . . 100.0 109.716 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.04 -74.47 0.51 Allowed 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.943 -1.132 . . . . 100.0 107.943 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -156.7 -39.44 0.07 Allowed 'General case' 0 C--N 1.368 1.382 0 N-CA-C 115.799 1.777 . . . . 100.0 115.799 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.31 -175.15 4.53 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 116.343 1.979 . . . . 100.0 116.343 -175.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.3 p -71.67 163.22 28.17 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 118.742 -2.474 . . . . 100.0 111.18 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.478 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.1 m-85 -62.6 -23.69 67.17 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 113.09 0.774 . . . . 100.0 113.09 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.53 -41.99 98.45 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.785 -1.191 . . . . 100.0 107.785 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.22 9.84 38.23 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 124.746 1.218 . . . . 100.0 112.219 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.84 -43.03 93.99 Favored Pre-proline 0 C--N 1.362 1.138 0 CA-C-O 115.827 -2.035 . . . . 100.0 111.93 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.19 -37.76 81.11 Favored 'Trans proline' 0 C--N 1.381 2.252 0 CA-C-N 122.79 2.032 . . . . 100.0 111.603 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.83 -45.16 90.81 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 124.292 1.037 . . . . 100.0 109.796 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.09 -42.08 98.85 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 124.777 1.231 . . . . 100.0 110.786 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.426 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.66 -44.65 93.17 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 123.735 0.814 . . . . 100.0 110.189 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.0 95.51 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 123.852 0.861 . . . . 100.0 112.251 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.71 -48.4 81.95 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 114.436 1.273 . . . . 100.0 114.436 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -105.02 -21.75 13.23 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 113.913 1.079 . . . . 100.0 113.913 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.289 91.4 m-85 74.38 -54.58 0.67 Allowed 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 116.239 1.94 . . . . 100.0 116.239 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -66.69 -62.53 1.4 Allowed 'General case' 0 C--N 1.36 1.055 0 CA-C-N 119.431 1.014 . . . . 100.0 110.479 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.426 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 72.6 m-80 47.81 45.24 18.49 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 114.883 1.438 . . . . 100.0 114.883 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.662 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 73.12 23.32 77.91 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-O 119.927 -0.374 . . . . 100.0 112.29 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 95.8 m-85 56.42 41.51 28.79 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.258 1.823 . . . . 100.0 112.974 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -61.07 -46.15 91.83 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.957 2.103 . . . . 100.0 106.936 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.3 mt -96.98 118.03 32.49 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 105.01 -2.219 . . . . 100.0 105.01 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.48 -24.11 64.65 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.968 1.307 . . . . 100.0 111.676 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -57.9 -35.66 71.35 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 128.756 2.822 . . . . 100.0 112.209 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.97 -43.31 91.34 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.266 1.426 . . . . 100.0 113.036 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.52 136.37 49.32 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.336 0.588 . . . . 100.0 110.543 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -62.8 -41.08 99.13 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 124.492 1.117 . . . . 100.0 112.455 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -88.95 4.13 49.14 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.331 0.652 . . . . 100.0 112.008 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.7 t90 74.06 -45.02 0.58 Allowed 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.969 2.508 . . . . 100.0 112.61 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -91.62 109.28 35.43 Favored Pre-proline 0 C--N 1.359 1.003 0 N-CA-C 106.338 -1.727 . . . . 100.0 106.338 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -81.59 168.19 16.38 Favored 'Trans proline' 0 C--N 1.365 1.446 0 C-N-CA 124.813 3.675 . . . . 100.0 114.608 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -64.33 -44.49 91.34 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 124.166 0.916 . . . . 100.0 109.638 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 81.4 mm-40 -109.27 101.43 10.44 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 105.275 -2.12 . . . . 100.0 105.275 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.7 tp -70.1 -39.95 75.23 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.813 1.245 . . . . 100.0 112.52 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 CA--C 1.494 -1.191 0 N-CA-C 115.782 1.771 . . . . 100.0 115.782 -178.128 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.662 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 14.7 t70 . . . . . 0 N--CA 1.439 -1.018 0 N-CA-C 108.252 -1.018 . . . . 100.0 108.252 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.42 -98.8 2.57 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 104.18 -3.568 . . . . 100.0 104.18 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -115.78 103.53 10.75 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 105.983 -1.858 . . . . 100.0 105.983 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 51.79 41.01 28.91 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.725 1.61 . . . . 100.0 114.419 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -67.18 -41.69 85.48 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.395 -0.816 . . . . 100.0 111.896 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.0 150.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 C-N-CA 123.786 0.834 . . . . 100.0 109.912 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 54.13 47.48 23.12 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 125.452 1.501 . . . . 100.0 111.19 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.14 -45.02 95.78 Favored Pre-proline 0 N--CA 1.44 -0.958 0 CA-C-O 117.19 -1.386 . . . . 100.0 109.713 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -71.89 156.83 56.07 Favored 'Trans proline' 0 C--N 1.383 2.351 0 C-N-CA 121.906 1.737 . . . . 100.0 109.077 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.06 130.92 44.69 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 109.226 -0.657 . . . . 100.0 109.226 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.3 tp -119.63 -54.95 2.14 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 106.925 -1.509 . . . . 100.0 106.925 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -128.22 154.92 45.31 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 108.207 -1.035 . . . . 100.0 108.207 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.3 mtp -63.0 -42.83 99.95 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 124.709 1.203 . . . . 100.0 111.232 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -88.69 129.93 35.42 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 105.768 -1.938 . . . . 100.0 105.768 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.94 107.18 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 N-CA-C 106.269 -1.752 . . . . 100.0 106.269 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.04 135.56 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 N-CA-C 100.477 -3.898 . . . . 100.0 100.477 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -65.27 -41.98 93.68 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.008 -1.108 . . . . 100.0 108.008 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -86.14 89.35 7.8 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 122.002 0.906 . . . . 100.0 108.87 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -130.64 138.9 50.31 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 103.488 -2.782 . . . . 100.0 103.488 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.261 1.676 0 N-CA-C 105.609 -1.996 . . . . 100.0 105.609 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.517 0 N-CA-C 108.647 -1.781 . . . . 100.0 108.647 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t 53.98 51.83 13.98 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.2 1.4 . . . . 100.0 111.506 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m 73.81 -54.36 0.68 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.833 2.453 . . . . 100.0 110.248 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.11 167.52 20.07 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.896 1.278 . . . . 100.0 109.114 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.55 75.19 10.3 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.898 -1.519 . . . . 100.0 106.898 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.88 39.81 26.63 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.566 2.346 . . . . 100.0 114.084 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 72.7 p 53.38 36.62 23.45 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 127.486 2.314 . . . . 100.0 115.962 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -66.25 -39.08 89.26 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.029 1.332 . . . . 100.0 111.999 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.82 -44.47 90.87 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 114.33 1.233 . . . . 100.0 114.33 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 54.99 37.51 29.0 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 115.911 1.819 . . . . 100.0 115.911 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.626 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.42 20.49 18.16 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 121.049 -1.032 . . . . 100.0 111.982 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.97 57.37 5.17 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.487 1.515 . . . . 100.0 114.3 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.87 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.88 125.01 61.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 CA-C-O 122.126 0.965 . . . . 100.0 110.866 179.197 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.98 169.24 18.29 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.459 -1.311 . . . . 100.0 107.459 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.68 -39.13 90.35 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 125.632 1.573 . . . . 100.0 109.704 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.08 -74.36 0.52 Allowed 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 108.021 -1.103 . . . . 100.0 108.021 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -156.73 -39.53 0.07 Allowed 'General case' 0 C--N 1.367 1.37 0 N-CA-C 115.811 1.782 . . . . 100.0 115.811 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.32 -175.14 4.52 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 116.365 1.987 . . . . 100.0 116.365 -175.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.1 p -71.74 163.2 28.23 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 118.718 -2.489 . . . . 100.0 111.167 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.5 -23.75 67.11 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 113.102 0.778 . . . . 100.0 113.102 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.45 -42.03 98.65 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 107.845 -1.169 . . . . 100.0 107.845 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -95.24 9.85 38.22 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.706 1.203 . . . . 100.0 112.167 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.483 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.83 -43.05 94.05 Favored Pre-proline 0 C--N 1.362 1.142 0 CA-C-O 115.798 -2.049 . . . . 100.0 111.933 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.18 -37.73 81.43 Favored 'Trans proline' 0 C--N 1.38 2.229 0 CA-C-N 122.782 2.029 . . . . 100.0 111.554 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.91 -45.2 90.37 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.301 1.04 . . . . 100.0 109.706 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.08 -42.06 98.82 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 124.787 1.235 . . . . 100.0 110.777 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.416 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.59 -44.76 93.1 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.765 0.826 . . . . 100.0 110.183 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.94 95.4 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 123.753 0.821 . . . . 100.0 112.286 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.7 -50.93 71.5 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 114.409 1.263 . . . . 100.0 114.409 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.486 HE22 ' HE2' ' A' ' 68' ' ' PHE . 10.1 tt0 -101.49 -23.62 14.29 Favored 'General case' 0 C--N 1.366 1.316 0 N-CA-C 113.756 1.021 . . . . 100.0 113.756 -176.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 74.62 -54.93 0.66 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 126.539 1.936 . . . . 100.0 114.264 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -65.55 -62.41 1.53 Allowed 'General case' 0 C--N 1.366 1.291 0 CA-C-N 119.715 1.143 . . . . 100.0 110.97 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 65.8 m-80 48.64 44.61 21.33 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 115.744 1.757 . . . . 100.0 115.744 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.627 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.91 20.6 79.38 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.144 -0.782 . . . . 100.0 111.144 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 55.62 41.79 30.21 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 127.307 2.243 . . . . 100.0 113.753 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -60.54 -46.02 91.73 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 127.57 2.348 . . . . 100.0 108.302 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.66 113.21 24.9 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 104.396 -2.446 . . . . 100.0 104.396 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.18 -34.96 79.62 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 125.643 1.577 . . . . 100.0 112.919 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.1 -25.32 63.71 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.778 2.031 . . . . 100.0 113.399 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.5 -42.44 96.37 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.26 1.024 . . . . 100.0 111.489 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.91 134.34 44.75 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.825 0.821 . . . . 100.0 110.799 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.44 -39.03 93.39 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 125.139 1.376 . . . . 100.0 112.41 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -86.34 2.81 46.08 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.999 0.92 . . . . 100.0 112.18 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 75.97 -49.74 0.6 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.117 2.567 . . . . 100.0 111.161 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -96.95 111.25 57.15 Favored Pre-proline 0 N--CA 1.438 -1.032 0 CA-C-N 118.945 0.793 . . . . 100.0 109.775 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -82.52 173.91 10.18 Favored 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 124.876 3.717 . . . . 100.0 112.068 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.36 -43.56 98.54 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 123.985 0.914 . . . . 100.0 111.037 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -107.41 101.91 11.23 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.908 -1.515 . . . . 100.0 106.908 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.85 -39.52 72.89 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 112.939 0.718 . . . . 100.0 112.939 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 N--CA 1.437 -1.084 0 C-N-CA 125.474 1.51 . . . . 100.0 113.97 -178.064 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.627 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 11.5 t70 . . . . . 0 N--CA 1.441 -0.913 0 CA-C-O 121.543 0.687 . . . . 100.0 109.754 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.49 -99.19 2.56 Favored Glycine 0 CA--C 1.487 -1.662 0 N-CA-C 104.014 -3.634 . . . . 100.0 104.014 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -118.32 102.15 8.74 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 107.433 -1.321 . . . . 100.0 107.433 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 52.77 40.22 30.11 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 126.546 1.939 . . . . 100.0 112.642 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.77 -41.14 92.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 122.659 0.384 . . . . 100.0 111.67 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.27 150.35 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 123.166 0.586 . . . . 100.0 109.432 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 55.07 47.17 22.57 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.957 1.703 . . . . 100.0 112.363 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.95 -47.81 94.46 Favored Pre-proline 0 C--N 1.359 0.99 0 CA-C-O 116.805 -1.569 . . . . 100.0 109.912 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.87 155.85 53.08 Favored 'Trans proline' 0 C--N 1.379 2.184 0 CA-C-N 122.277 1.849 . . . . 100.0 109.166 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -67.44 131.58 45.96 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 121.428 0.632 . . . . 100.0 110.485 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.4 tp -115.56 -55.92 2.39 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.384 -1.71 . . . . 100.0 106.384 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -129.15 151.0 50.29 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 107.43 -1.322 . . . . 100.0 107.43 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.7 mmm -64.78 -40.21 94.87 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 123.616 0.766 . . . . 100.0 111.298 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -81.26 124.79 29.61 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 105.006 -2.22 . . . . 100.0 105.006 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.6 109.55 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 108.029 -1.1 . . . . 100.0 108.029 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.04 137.09 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 100.739 -3.8 . . . . 100.0 100.739 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.486 ' HE2' HE22 ' A' ' 30' ' ' GLN . 50.8 t80 -64.9 -42.01 95.11 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.625 -0.88 . . . . 100.0 108.625 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -85.68 84.73 7.5 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.148 -0.686 . . . . 100.0 109.148 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -125.03 134.26 52.62 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 105.246 -2.131 . . . . 100.0 105.246 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 . . . . . 0 C--O 1.261 1.7 0 N-CA-C 104.683 -2.34 . . . . 100.0 104.683 178.943 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.495 0 N-CA-C 108.622 -1.791 . . . . 100.0 108.622 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 54.02 51.8 13.99 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.223 1.409 . . . . 100.0 111.492 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.32 0.68 Allowed 'General case' 0 C--N 1.366 1.284 0 C-N-CA 127.8 2.44 . . . . 100.0 110.253 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.54 20.11 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 124.938 1.295 . . . . 100.0 109.078 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.58 75.17 10.31 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.849 -1.537 . . . . 100.0 106.849 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.93 39.85 26.9 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.576 2.351 . . . . 100.0 114.005 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 74.7 p 53.37 36.6 23.37 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 127.475 2.31 . . . . 100.0 115.93 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -39.11 89.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.044 1.338 . . . . 100.0 112.018 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.83 -44.5 90.93 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.289 1.218 . . . . 100.0 114.289 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.0 37.51 29.03 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 115.967 1.839 . . . . 100.0 115.967 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.633 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.45 20.47 18.17 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 121.012 -1.055 . . . . 100.0 111.937 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.05 57.3 5.18 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.499 1.52 . . . . 100.0 114.298 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.857 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.8 124.9 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 122.078 0.942 . . . . 100.0 110.947 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.86 169.29 18.41 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.982 1.313 . . . . 100.0 107.46 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.16 90.5 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 125.638 1.575 . . . . 100.0 109.726 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.04 -74.4 0.51 Allowed 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 108.012 -1.107 . . . . 100.0 108.012 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.4 p -156.71 -39.48 0.07 Allowed 'General case' 0 C--N 1.367 1.366 0 N-CA-C 115.821 1.786 . . . . 100.0 115.821 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.35 -175.16 4.55 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 116.368 1.988 . . . . 100.0 116.368 -175.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.6 p -71.69 163.24 28.15 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 118.72 -2.487 . . . . 100.0 111.232 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.487 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.57 -23.7 67.15 Favored 'General case' 0 C--N 1.358 0.97 0 N-CA-C 113.118 0.784 . . . . 100.0 113.118 178.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.5 -42.05 98.53 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.8 -1.185 . . . . 100.0 107.8 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.19 9.89 38.0 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.684 1.194 . . . . 100.0 112.223 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.85 -43.07 94.01 Favored Pre-proline 0 C--N 1.362 1.134 0 CA-C-O 115.845 -2.026 . . . . 100.0 111.922 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.14 -37.77 81.47 Favored 'Trans proline' 0 C--N 1.381 2.272 0 CA-C-N 122.748 2.017 . . . . 100.0 111.619 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 -45.12 90.95 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.27 1.028 . . . . 100.0 109.812 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.1 m -62.16 -42.02 98.87 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.74 1.216 . . . . 100.0 110.747 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -63.63 -44.68 93.18 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 123.76 0.824 . . . . 100.0 110.193 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.87 95.13 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 123.746 0.818 . . . . 100.0 112.274 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.73 -51.24 70.18 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 114.38 1.252 . . . . 100.0 114.38 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -100.41 -26.32 13.91 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 119.078 -1.049 . . . . 100.0 113.831 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 74.82 -52.99 0.68 Allowed 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 125.728 1.611 . . . . 100.0 113.571 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -63.87 -63.33 1.19 Allowed 'General case' 0 C--N 1.363 1.169 0 CA-C-N 119.582 1.083 . . . . 100.0 110.374 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 49.05 43.82 22.39 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.459 1.504 . . . . 100.0 114.678 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.658 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.27 21.92 76.97 Favored Glycine 0 C--N 1.355 1.603 0 O-C-N 122.078 -0.389 . . . . 100.0 112.151 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 95.2 m-85 57.06 39.08 29.44 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.737 2.015 . . . . 100.0 112.913 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -62.31 -43.82 97.95 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.631 1.572 . . . . 100.0 107.975 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.4 mt -92.77 114.53 27.11 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.896 -2.261 . . . . 100.0 104.896 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.64 -36.48 84.41 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.755 1.622 . . . . 100.0 112.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.54 -23.44 64.59 Favored 'General case' 0 CA--C 1.504 -0.825 0 C-N-CA 126.142 1.777 . . . . 100.0 115.082 -177.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -60.12 -43.77 95.37 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.888 1.275 . . . . 100.0 111.678 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.52 136.37 45.86 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 121.701 0.763 . . . . 100.0 110.815 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.55 -39.71 95.13 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 124.72 1.208 . . . . 100.0 112.62 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -85.84 -1.43 57.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.525 0.73 . . . . 100.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.425 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 92.3 t90 73.81 -40.24 0.45 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.06 2.944 . . . . 100.0 112.116 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -91.29 107.14 19.33 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 105.382 -2.081 . . . . 100.0 105.382 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 27.4 Cg_endo -81.56 168.02 16.56 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 124.531 3.487 . . . . 100.0 114.341 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -63.93 -44.7 92.09 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 124.631 1.173 . . . . 100.0 109.296 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 67.8 mm-40 -111.34 105.31 13.91 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 105.501 -2.037 . . . . 100.0 105.501 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.0 -41.5 74.27 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 113.411 0.893 . . . . 100.0 113.411 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 CA--C 1.489 -1.404 0 N-CA-C 116.146 1.906 . . . . 100.0 116.146 -176.956 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.658 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 19.6 t70 . . . . . 0 N--CA 1.439 -1.006 0 N-CA-C 107.609 -1.256 . . . . 100.0 107.609 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.5 -98.97 2.5 Favored Glycine 0 CA--C 1.484 -1.879 0 N-CA-C 104.048 -3.621 . . . . 100.0 104.048 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -119.06 102.24 8.6 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 106.871 -1.529 . . . . 100.0 106.871 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 52.5 39.03 27.1 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 127.244 2.218 . . . . 100.0 113.009 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.29 -41.18 90.17 Favored 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 123.33 0.652 . . . . 100.0 111.503 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.03 147.16 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 C-N-CA 123.48 0.712 . . . . 100.0 110.227 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' CD1' HD11 ' A' ' 62' ' ' LEU . 49.6 m-85 53.51 48.45 21.73 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 126.867 2.067 . . . . 100.0 112.142 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.26 -44.55 93.66 Favored Pre-proline 0 C--N 1.357 0.91 0 CA-C-O 116.698 -1.62 . . . . 100.0 109.208 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.87 151.21 78.54 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.007 1.805 . . . . 100.0 109.252 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.31 132.22 47.29 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.647 0.592 . . . . 100.0 110.436 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD11 ' CD1' ' A' ' 58' ' ' PHE . 85.0 mt -114.82 -55.11 2.52 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.605 -1.628 . . . . 100.0 106.605 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -130.99 153.4 49.26 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.358 -1.349 . . . . 100.0 107.358 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.3 mtp -63.37 -42.09 98.85 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.421 1.088 . . . . 100.0 111.3 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -82.97 130.1 35.1 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 106.483 -1.673 . . . . 100.0 106.483 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.54 108.75 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 CA-C-O 122.47 1.129 . . . . 100.0 108.435 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.0 t -128.48 133.4 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 1 N-CA-C 100.104 -4.036 . . . . 100.0 100.104 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.88 -41.26 95.78 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.338 -0.986 . . . . 100.0 108.338 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.54 88.27 7.61 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.523 -0.917 . . . . 100.0 108.523 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.3 m -122.56 132.6 54.38 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 104.397 -2.445 . . . . 100.0 104.397 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 . . . . . 0 C--O 1.263 1.765 0 N-CA-C 106.522 -1.659 . . . . 100.0 106.522 179.289 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.525 0 N-CA-C 108.664 -1.774 . . . . 100.0 108.664 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 53.94 51.86 13.97 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 125.223 1.409 . . . . 100.0 111.45 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.85 -54.41 0.68 Allowed 'General case' 0 C--N 1.365 1.273 0 C-N-CA 127.807 2.443 . . . . 100.0 110.204 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.07 167.51 20.05 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 124.895 1.278 . . . . 100.0 109.135 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.56 75.21 10.3 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 106.843 -1.54 . . . . 100.0 106.843 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.93 39.77 26.72 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.569 2.348 . . . . 100.0 114.031 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.263 74.8 p 53.47 36.54 23.45 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.407 2.283 . . . . 100.0 115.952 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -66.24 -39.07 89.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.984 1.313 . . . . 100.0 112.039 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.79 -44.51 90.75 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 114.307 1.225 . . . . 100.0 114.307 -175.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 54.96 37.53 28.98 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 115.975 1.843 . . . . 100.0 115.975 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.629 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.49 20.56 18.05 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 121.053 -1.03 . . . . 100.0 111.946 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 56.03 57.32 5.18 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.508 1.523 . . . . 100.0 114.287 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.863 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.85 124.95 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-O 122.108 0.956 . . . . 100.0 110.892 179.224 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.89 169.27 18.39 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 124.967 1.307 . . . . 100.0 107.522 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.464 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.68 -39.2 90.59 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 125.668 1.587 . . . . 100.0 109.663 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.2 t60 -92.06 -74.42 0.51 Allowed 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.944 -1.132 . . . . 100.0 107.944 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -156.71 -39.52 0.07 Allowed 'General case' 0 C--N 1.367 1.355 0 N-CA-C 115.794 1.775 . . . . 100.0 115.794 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.36 -175.18 4.56 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 116.296 1.961 . . . . 100.0 116.296 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.4 p -71.64 163.22 28.16 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 118.664 -2.522 . . . . 100.0 111.211 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.485 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.54 -23.78 67.16 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 113.06 0.763 . . . . 100.0 113.06 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.46 -41.99 98.63 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.839 -1.171 . . . . 100.0 107.839 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -95.28 9.92 38.02 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 124.682 1.193 . . . . 100.0 112.183 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.86 -43.07 93.97 Favored Pre-proline 0 C--N 1.363 1.17 0 CA-C-O 115.768 -2.063 . . . . 100.0 111.893 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.17 -37.77 81.25 Favored 'Trans proline' 0 C--N 1.379 2.176 0 CA-C-N 122.773 2.026 . . . . 100.0 111.568 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.83 -45.13 90.95 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.368 1.043 . . . . 100.0 109.82 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.18 -42.05 98.91 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.8 1.24 . . . . 100.0 110.751 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.428 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.58 -44.74 93.19 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.8 0.84 . . . . 100.0 110.178 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.89 95.16 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 123.719 0.808 . . . . 100.0 112.219 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.68 -50.38 73.74 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 114.421 1.267 . . . . 100.0 114.421 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.454 HE21 ' HG2' ' A' ' 69' ' ' GLU . 45.9 tt0 -102.65 -26.06 13.33 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 119.374 -0.931 . . . . 100.0 113.389 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.291 87.6 m-85 74.77 -52.56 0.68 Allowed 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 125.779 1.632 . . . . 100.0 114.607 -177.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -62.54 -64.25 0.98 Allowed 'General case' 0 C--N 1.36 1.047 0 CA-C-N 119.105 0.866 . . . . 100.0 110.214 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 71.4 m-80 46.96 45.76 15.54 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 115.849 1.796 . . . . 100.0 115.849 176.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.69 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.79 21.99 77.71 Favored Glycine 0 C--N 1.355 1.599 0 C-N-CA 121.513 -0.375 . . . . 100.0 112.187 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 85.3 m-85 56.51 41.18 29.04 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 126.873 2.069 . . . . 100.0 112.85 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -61.59 -44.77 96.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 127.015 2.126 . . . . 100.0 107.763 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.7 mt -96.49 116.24 28.75 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 104.958 -2.238 . . . . 100.0 104.958 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.08 -34.84 79.37 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 125.299 1.44 . . . . 100.0 113.005 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -57.59 -28.67 63.82 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 127.364 2.266 . . . . 100.0 113.256 -177.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.66 -43.36 93.98 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.225 1.41 . . . . 100.0 112.567 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.23 135.74 49.29 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 121.691 0.758 . . . . 100.0 111.538 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.55 -40.61 97.37 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 125.125 1.37 . . . . 100.0 111.968 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -88.9 3.87 49.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 123.634 0.774 . . . . 100.0 112.309 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.7 t-105 75.33 -49.9 0.64 Allowed 'General case' 0 C--N 1.364 1.199 0 C-N-CA 127.416 2.286 . . . . 100.0 111.986 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -94.13 112.12 56.03 Favored Pre-proline 0 N--CA 1.436 -1.167 0 N-CA-C 107.573 -1.269 . . . . 100.0 107.573 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -81.93 169.74 14.5 Favored 'Trans proline' 0 C--N 1.362 1.272 0 C-N-CA 124.996 3.797 . . . . 100.0 112.654 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.37 -43.88 96.37 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 109.091 -0.707 . . . . 100.0 109.091 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 79.1 mm-40 -109.77 103.88 12.76 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.545 -0.909 . . . . 100.0 108.545 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.8 tp -70.22 -40.33 74.6 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.665 -1.152 . . . . 100.0 111.349 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 CA--C 1.489 -1.387 0 N-CA-C 115.163 1.542 . . . . 100.0 115.163 -177.917 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.69 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.2 t70 . . . . . 0 N--CA 1.442 -0.849 0 N-CA-C 108.203 -1.036 . . . . 100.0 108.203 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.62 -98.52 2.49 Favored Glycine 0 CA--C 1.485 -1.811 0 N-CA-C 103.562 -3.815 . . . . 100.0 103.562 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -118.75 102.76 9.07 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 107.663 -1.236 . . . . 100.0 107.663 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 52.57 39.9 28.94 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.393 2.277 . . . . 100.0 112.811 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -65.47 -42.05 92.67 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 116.333 -0.394 . . . . 100.0 111.41 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.17 156.64 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 109.378 -0.601 . . . . 100.0 109.378 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 57.04 42.94 25.25 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 126.026 1.73 . . . . 100.0 110.594 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -61.04 -47.39 95.43 Favored Pre-proline 0 C--N 1.36 1.027 0 CA-C-O 116.741 -1.6 . . . . 100.0 110.092 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -73.79 157.42 47.84 Favored 'Trans proline' 0 C--N 1.379 2.153 0 CA-C-N 122.179 1.814 . . . . 100.0 109.336 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -68.8 130.36 42.6 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.157 -1.053 . . . . 100.0 108.157 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.2 tp -118.01 -53.16 2.39 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 107.397 -1.334 . . . . 100.0 107.397 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -128.36 152.53 48.07 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.65 -1.241 . . . . 100.0 107.65 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 91.1 mmm -62.76 -43.22 99.38 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 124.643 1.177 . . . . 100.0 111.679 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -88.22 130.25 35.13 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 105.975 -1.861 . . . . 100.0 105.975 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -95.49 110.16 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-O 122.484 1.135 . . . . 100.0 108.143 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.2 t -129.73 136.19 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 100.311 -3.959 . . . . 100.0 100.311 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -63.84 -41.88 97.73 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.502 -0.925 . . . . 100.0 108.502 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG2' HE21 ' A' ' 30' ' ' GLN . 53.9 mt-10 -87.64 93.11 9.34 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 108.621 -0.881 . . . . 100.0 108.621 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.3 m -124.52 131.62 53.48 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 104.289 -2.485 . . . . 100.0 104.289 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 . . . . . 0 C--O 1.261 1.67 0 N-CA-C 105.313 -2.106 . . . . 100.0 105.313 179.567 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.497 0 N-CA-C 108.636 -1.786 . . . . 100.0 108.636 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 54.01 51.83 13.95 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.175 1.39 . . . . 100.0 111.464 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.1 m 73.79 -54.36 0.68 Allowed 'General case' 0 C--N 1.364 1.225 0 C-N-CA 127.85 2.46 . . . . 100.0 110.219 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.11 167.5 20.11 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 124.909 1.284 . . . . 100.0 109.109 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.6 75.24 10.31 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 106.836 -1.542 . . . . 100.0 106.836 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.89 39.81 26.69 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 127.518 2.327 . . . . 100.0 114.076 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 75.0 p 53.34 36.63 23.38 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 127.412 2.285 . . . . 100.0 115.972 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -66.31 -39.04 89.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.997 1.319 . . . . 100.0 112.032 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.81 -44.51 90.81 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 114.312 1.227 . . . . 100.0 114.312 -175.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.03 37.54 29.07 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 115.94 1.83 . . . . 100.0 115.94 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.63 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.2 pt20 -109.48 20.46 18.17 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 121.061 -1.024 . . . . 100.0 111.953 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.07 57.3 5.18 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.462 1.505 . . . . 100.0 114.249 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.873 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.8 124.98 61.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 122.114 0.959 . . . . 100.0 110.875 179.157 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.94 169.29 18.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.442 -1.318 . . . . 100.0 107.442 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.66 -39.22 90.59 Favored 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 125.681 1.593 . . . . 100.0 109.656 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.06 -74.45 0.51 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 107.951 -1.129 . . . . 100.0 107.951 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.72 -39.53 0.07 Allowed 'General case' 0 C--N 1.367 1.34 0 N-CA-C 115.799 1.777 . . . . 100.0 115.799 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.35 -175.18 4.56 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 116.296 1.961 . . . . 100.0 116.296 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.6 p -71.63 163.18 28.24 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 118.69 -2.506 . . . . 100.0 111.186 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.54 -23.71 67.13 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 113.146 0.795 . . . . 100.0 113.146 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.46 -42.08 98.62 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 107.825 -1.176 . . . . 100.0 107.825 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.16 9.89 37.95 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 124.721 1.208 . . . . 100.0 112.208 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.0 t -59.88 -43.07 93.94 Favored Pre-proline 0 C--N 1.363 1.161 0 CA-C-O 115.792 -2.051 . . . . 100.0 111.867 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.16 -37.74 81.49 Favored 'Trans proline' 0 C--N 1.381 2.25 0 CA-C-N 122.759 2.021 . . . . 100.0 111.583 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.89 -45.13 90.75 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.293 1.037 . . . . 100.0 109.795 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.15 -41.98 98.81 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 124.724 1.21 . . . . 100.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.405 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.67 -44.7 92.99 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.772 0.829 . . . . 100.0 110.157 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.9 95.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 123.821 0.848 . . . . 100.0 112.243 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.7 -50.37 73.77 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 114.436 1.273 . . . . 100.0 114.436 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -102.82 -22.74 13.84 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 113.813 1.042 . . . . 100.0 113.813 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.305 91.8 m-85 74.48 -55.57 0.65 Allowed 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 116.321 1.971 . . . . 100.0 116.321 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -65.05 -62.79 1.34 Allowed 'General case' 0 C--N 1.363 1.194 0 CA-C-N 120.091 1.314 . . . . 100.0 110.445 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.405 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 68.1 m-80 48.24 44.75 19.9 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 115.009 1.485 . . . . 100.0 115.009 176.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.693 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.83 20.69 77.74 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 121.815 -0.553 . . . . 100.0 112.277 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 55.23 41.53 31.32 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 127.151 2.18 . . . . 100.0 113.077 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -61.26 -45.17 95.63 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.998 2.119 . . . . 100.0 107.882 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.0 mt -97.01 116.21 28.82 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 104.763 -2.31 . . . . 100.0 104.763 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.78 -38.07 89.75 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 125.731 1.613 . . . . 100.0 112.653 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.86 -23.11 64.9 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 116.406 2.002 . . . . 100.0 116.406 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -62.52 -41.0 98.56 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.889 0.768 . . . . 100.0 111.576 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.16 136.8 55.64 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.378 0.609 . . . . 100.0 110.748 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.16 -41.87 98.71 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 124.699 1.199 . . . . 100.0 112.792 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -89.11 3.11 52.93 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 123.052 0.541 . . . . 100.0 112.037 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.441 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 89.8 t90 73.52 -44.41 0.58 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.386 2.274 . . . . 100.0 112.569 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -90.22 107.06 17.11 Favored Pre-proline 0 C--N 1.357 0.926 0 N-CA-C 105.298 -2.112 . . . . 100.0 105.298 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 27.3 Cg_endo -81.47 171.32 13.67 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 124.62 3.547 . . . . 100.0 114.314 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -62.01 -46.41 89.32 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.789 1.236 . . . . 100.0 108.444 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.41 106.87 15.48 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 107.915 -1.143 . . . . 100.0 107.915 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.46 -39.76 74.09 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 123.665 0.786 . . . . 100.0 111.579 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 CA--C 1.492 -1.261 0 C-N-CA 125.598 1.559 . . . . 100.0 114.908 -177.318 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.693 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 16.4 t70 . . . . . 0 N--CA 1.441 -0.92 0 N-CA-C 108.6 -0.889 . . . . 100.0 108.6 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.73 -100.87 2.67 Favored Glycine 0 CA--C 1.487 -1.686 0 N-CA-C 104.859 -3.297 . . . . 100.0 104.859 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -116.23 100.99 8.31 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 106.708 -1.59 . . . . 100.0 106.708 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 52.25 40.12 28.39 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.045 2.138 . . . . 100.0 112.894 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -66.44 -40.76 89.68 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 123.245 0.618 . . . . 100.0 111.224 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.4 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 9.8 p -72.82 150.05 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 C-N-CA 123.994 0.918 . . . . 100.0 109.892 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 54.42 44.66 28.53 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 126.784 2.033 . . . . 100.0 110.824 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.414 ' N ' ' HD2' ' A' ' 60' ' ' PRO . 31.5 t70 -61.7 -46.07 93.23 Favored Pre-proline 0 C--N 1.364 1.204 0 CA-C-O 116.644 -1.646 . . . . 100.0 108.981 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 59' ' ' ASP . 74.3 Cg_endo -70.01 151.38 67.61 Favored 'Trans proline' 0 C--N 1.386 2.53 0 CA-C-N 122.175 1.813 . . . . 100.0 107.859 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.99 131.08 45.65 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 121.53 0.681 . . . . 100.0 111.443 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 tp -116.99 -54.95 2.39 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 105.744 -1.947 . . . . 100.0 105.744 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -131.7 152.26 51.02 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 107.004 -1.48 . . . . 100.0 107.004 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 70.4 mtm -63.25 -42.34 99.18 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.658 1.183 . . . . 100.0 111.03 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.19 128.97 34.95 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 106.112 -1.81 . . . . 100.0 106.112 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.31 106.99 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 107.658 -1.238 . . . . 100.0 107.658 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -128.77 135.89 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 N-CA-C 100.383 -3.932 . . . . 100.0 100.383 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -64.86 -41.91 95.29 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.771 -0.581 . . . . 100.0 109.671 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -85.9 88.05 7.51 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 107.607 -1.257 . . . . 100.0 107.607 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.7 m -121.17 130.93 53.95 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 104.408 -2.441 . . . . 100.0 104.408 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 . . . . . 0 C--O 1.261 1.698 0 N-CA-C 109.183 -0.673 . . . . 100.0 109.183 -179.894 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.502 0 N-CA-C 108.635 -1.786 . . . . 100.0 108.635 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 53.95 51.85 13.98 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.217 1.407 . . . . 100.0 111.5 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 m 73.89 -54.38 0.68 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 127.766 2.426 . . . . 100.0 110.231 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.53 20.12 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 124.882 1.273 . . . . 100.0 109.108 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.56 75.2 10.3 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 106.843 -1.54 . . . . 100.0 106.843 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.87 39.87 26.74 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 127.613 2.365 . . . . 100.0 114.056 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 73.5 p 53.33 36.61 23.3 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 127.456 2.302 . . . . 100.0 116.001 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -66.22 -39.1 89.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.027 1.331 . . . . 100.0 112.035 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.87 -44.44 91.07 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.309 1.226 . . . . 100.0 114.309 -175.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 55.03 37.44 28.92 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 115.949 1.833 . . . . 100.0 115.949 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.63 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.44 20.55 18.09 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.995 -1.066 . . . . 100.0 111.925 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.03 57.29 5.2 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.48 1.512 . . . . 100.0 114.266 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.869 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.83 124.93 61.27 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-O 122.127 0.965 . . . . 100.0 110.928 179.16 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.87 169.28 18.4 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.016 1.327 . . . . 100.0 107.494 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.17 90.52 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 125.668 1.587 . . . . 100.0 109.694 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 45.0 t-80 -92.09 -74.39 0.51 Allowed 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.958 -1.127 . . . . 100.0 107.958 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.74 -39.48 0.07 Allowed 'General case' 0 C--N 1.367 1.348 0 N-CA-C 115.836 1.791 . . . . 100.0 115.836 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.31 -175.25 4.58 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 116.338 1.977 . . . . 100.0 116.338 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.3 p -71.58 163.21 28.17 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 118.678 -2.513 . . . . 100.0 111.236 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.48 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.2 m-85 -62.6 -23.74 67.2 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 113.037 0.754 . . . . 100.0 113.037 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.45 -42.02 98.63 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 107.81 -1.181 . . . . 100.0 107.81 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.24 9.86 38.2 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 124.682 1.193 . . . . 100.0 112.158 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.48 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.85 -43.06 94.0 Favored Pre-proline 0 C--N 1.362 1.129 0 CA-C-O 115.784 -2.055 . . . . 100.0 111.928 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.21 -37.68 81.53 Favored 'Trans proline' 0 C--N 1.38 2.207 0 CA-C-N 122.76 2.021 . . . . 100.0 111.612 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.86 -45.17 90.66 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.287 1.035 . . . . 100.0 109.776 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.14 -42.01 98.83 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 124.749 1.219 . . . . 100.0 110.8 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.401 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.65 -44.7 93.07 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 123.748 0.819 . . . . 100.0 110.19 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.88 95.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 123.785 0.834 . . . . 100.0 112.261 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.73 -50.52 73.13 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 114.382 1.253 . . . . 100.0 114.382 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -102.26 -25.48 13.66 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 113.59 0.959 . . . . 100.0 113.59 -177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.311 90.8 m-85 74.58 -53.33 0.68 Allowed 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 115.45 1.648 . . . . 100.0 115.45 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.44 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 99.6 mtt180 -63.92 -62.36 1.69 Allowed 'General case' 0 C--N 1.363 1.167 0 CA-C-N 119.984 1.265 . . . . 100.0 110.17 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 59.4 m-80 48.65 42.98 20.24 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.484 1.513 . . . . 100.0 114.636 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.643 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.08 21.63 78.85 Favored Glycine 0 C--N 1.355 1.638 0 O-C-N 121.88 -0.513 . . . . 100.0 111.852 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 56.22 40.31 30.03 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 127.22 2.208 . . . . 100.0 114.265 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -62.77 -43.01 99.92 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 125.83 1.652 . . . . 100.0 107.51 177.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 tp -95.14 113.14 24.8 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 105.6 -2.0 . . . . 100.0 105.6 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.39 -36.96 85.83 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 126.469 1.908 . . . . 100.0 113.016 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.98 -32.11 65.75 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 127.541 2.336 . . . . 100.0 114.209 -176.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 66.5 t80 -59.61 -43.57 93.73 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 113.401 0.889 . . . . 100.0 113.401 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.16 136.03 55.37 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 121.691 0.758 . . . . 100.0 110.558 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.05 -42.26 98.99 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 125.056 1.342 . . . . 100.0 112.286 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.79 0.67 54.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 123.579 0.752 . . . . 100.0 111.584 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . 0.256 89.7 t90 74.24 -47.11 0.63 Allowed 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.334 2.254 . . . . 100.0 112.912 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -86.79 108.62 19.11 Favored Pre-proline 0 N--CA 1.438 -1.048 0 N-CA-C 105.792 -1.929 . . . . 100.0 105.792 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.59 164.23 21.09 Favored 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.877 3.052 . . . . 100.0 113.205 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -66.22 -41.52 89.99 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 108.299 -1.0 . . . . 100.0 108.299 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -109.63 104.76 13.82 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 106.635 -1.617 . . . . 100.0 106.635 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.42 -41.33 73.06 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 124.461 1.104 . . . . 100.0 112.968 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 CA--C 1.489 -1.4 0 N-CA-C 115.502 1.668 . . . . 100.0 115.502 -177.086 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.643 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 8.7 t70 . . . . . 0 N--CA 1.442 -0.873 0 N-CA-C 107.948 -1.13 . . . . 100.0 107.948 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.44 -101.4 2.7 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 104.161 -3.576 . . . . 100.0 104.161 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -115.47 102.92 10.26 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 106.228 -1.768 . . . . 100.0 106.228 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 52.08 41.19 29.79 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 126.645 1.978 . . . . 100.0 113.299 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -65.57 -42.06 92.19 Favored 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 122.467 0.307 . . . . 100.0 111.779 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -73.99 150.71 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-O 121.295 0.569 . . . . 100.0 109.766 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 54.59 42.56 31.21 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.795 2.038 . . . . 100.0 112.195 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.6 -44.92 88.3 Favored Pre-proline 0 C--N 1.36 1.049 0 CA-C-O 117.057 -1.449 . . . . 100.0 109.986 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -71.89 157.84 54.08 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.206 1.937 . . . . 100.0 109.026 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.21 130.3 43.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.296 0.569 . . . . 100.0 109.828 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.4 tp -117.91 -55.69 2.24 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 106.329 -1.73 . . . . 100.0 106.329 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -130.92 153.86 48.72 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 107.409 -1.33 . . . . 100.0 107.409 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.3 mtp -62.88 -41.98 99.61 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 124.113 0.965 . . . . 100.0 112.148 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -83.32 129.96 35.03 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 105.769 -1.937 . . . . 100.0 105.769 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.2 t -102.62 109.18 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 CA-C-O 122.458 1.123 . . . . 100.0 108.452 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.8 t -133.27 139.85 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 N-CA-C 101.954 -3.35 . . . . 100.0 101.954 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.62 -42.06 95.75 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 109.107 -0.701 . . . . 100.0 109.107 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -87.25 84.81 7.18 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 108.901 -0.778 . . . . 100.0 108.901 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.9 m -124.58 131.25 53.48 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 105.881 -1.896 . . . . 100.0 105.881 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.261 1.678 0 N-CA-C 106.373 -1.714 . . . . 100.0 106.373 179.753 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.471 0 N-CA-C 108.681 -1.767 . . . . 100.0 108.681 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 53.97 51.87 13.92 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.215 1.406 . . . . 100.0 111.463 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 m 73.8 -54.32 0.68 Allowed 'General case' 0 C--N 1.365 1.279 0 C-N-CA 127.783 2.433 . . . . 100.0 110.26 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.15 167.53 20.09 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 124.947 1.299 . . . . 100.0 109.065 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.62 75.19 10.32 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.873 -1.529 . . . . 100.0 106.873 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.96 39.78 26.83 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.56 2.344 . . . . 100.0 114.045 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 73.5 p 53.45 36.55 23.46 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 127.463 2.305 . . . . 100.0 115.932 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -39.1 89.31 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.007 1.323 . . . . 100.0 112.012 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.71 -44.59 90.43 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 114.304 1.224 . . . . 100.0 114.304 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 55.06 37.46 28.95 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 115.91 1.818 . . . . 100.0 115.91 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.633 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.44 20.56 18.07 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 121.049 -1.032 . . . . 100.0 111.975 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.01 57.33 5.19 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.468 1.507 . . . . 100.0 114.301 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.865 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.84 124.95 61.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 122.123 0.963 . . . . 100.0 110.918 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.87 169.31 18.37 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.017 1.327 . . . . 100.0 107.504 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.464 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.69 -39.18 90.54 Favored 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 125.64 1.576 . . . . 100.0 109.723 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.05 -74.47 0.51 Allowed 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 107.947 -1.131 . . . . 100.0 107.947 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.67 -39.45 0.08 Allowed 'General case' 0 C--N 1.368 1.376 0 N-CA-C 115.769 1.766 . . . . 100.0 115.769 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.4 -175.21 4.6 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 116.276 1.954 . . . . 100.0 116.276 -175.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.3 p -71.7 163.24 28.14 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 118.702 -2.499 . . . . 100.0 111.17 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.55 -23.74 67.15 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 113.085 0.772 . . . . 100.0 113.085 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.47 -42.01 98.58 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 107.847 -1.168 . . . . 100.0 107.847 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.22 9.85 38.2 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 124.705 1.202 . . . . 100.0 112.197 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.83 -43.05 94.04 Favored Pre-proline 0 C--N 1.362 1.125 0 CA-C-O 115.803 -2.046 . . . . 100.0 111.902 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.17 -37.79 81.07 Favored 'Trans proline' 0 C--N 1.381 2.259 0 CA-C-N 122.788 2.031 . . . . 100.0 111.588 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 -45.12 90.94 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 124.319 1.047 . . . . 100.0 109.8 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.4 m -62.14 -42.02 98.83 Favored 'General case' 0 CA--C 1.5 -0.961 0 C-N-CA 124.769 1.228 . . . . 100.0 110.814 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.451 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.69 -44.6 93.21 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.718 0.807 . . . . 100.0 110.215 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.82 94.97 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 123.734 0.814 . . . . 100.0 112.25 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.77 -51.89 67.42 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 114.396 1.258 . . . . 100.0 114.396 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -99.64 -25.58 14.36 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 114.022 1.119 . . . . 100.0 114.022 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 74.12 -52.98 0.69 Allowed 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 126.325 1.85 . . . . 100.0 113.659 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.5 ttm105 -62.46 -65.38 0.7 Allowed 'General case' 0 C--N 1.363 1.173 0 CA-C-N 119.321 0.964 . . . . 100.0 109.907 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 72.9 m-80 47.99 44.23 18.52 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 116.063 1.875 . . . . 100.0 116.063 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.72 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.51 21.85 78.19 Favored Glycine 0 C--N 1.354 1.544 0 N-CA-C 112.035 -0.426 . . . . 100.0 112.035 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 76.2 m-85 56.81 41.24 28.35 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 127.34 2.256 . . . . 100.0 113.07 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.15 -45.75 93.36 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.673 1.989 . . . . 100.0 108.149 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.2 mt -94.07 114.7 26.91 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 104.697 -2.334 . . . . 100.0 104.697 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.68 -37.01 86.12 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 126.164 1.786 . . . . 100.0 112.453 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -60.22 -24.67 65.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 126.294 1.838 . . . . 100.0 115.092 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -60.44 -43.71 96.55 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.522 1.529 . . . . 100.0 111.916 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.42 137.19 55.72 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.864 0.84 . . . . 100.0 111.517 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.86 -42.25 99.68 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.971 1.708 . . . . 100.0 112.068 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -86.89 -1.76 58.07 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.881 0.872 . . . . 100.0 111.308 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.422 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 89.8 t90 75.52 -44.77 0.53 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.25 3.02 . . . . 100.0 109.954 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -87.4 107.45 15.08 Favored Pre-proline 0 N--CA 1.439 -1.013 0 N-CA-C 106.576 -1.639 . . . . 100.0 106.576 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 30.3 Cg_endo -81.99 165.03 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.436 0 C-N-CA 123.971 3.114 . . . . 100.0 112.628 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -65.48 -42.24 92.43 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 108.698 -0.853 . . . . 100.0 108.698 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 12.1 tp10 -107.42 102.16 11.46 Favored 'General case' 0 C--N 1.362 1.138 0 N-CA-C 107.225 -1.398 . . . . 100.0 107.225 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.29 -40.76 74.09 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 115.245 -0.889 . . . . 100.0 113.169 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.784 ' C ' ' O2P' ' A' ' 51' ' ' TPO . 62.2 mt -66.24 145.8 55.35 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 114.994 1.479 . . . . 100.0 114.994 -177.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TPO . . . . . 1.356 ' N ' ' O2P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.72 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.2 t70 -67.24 134.09 50.98 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 108.758 -0.83 . . . . 100.0 108.758 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.27 -100.58 2.66 Favored Glycine 0 CA--C 1.49 -1.479 0 N-CA-C 104.891 -3.284 . . . . 100.0 104.891 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -114.96 102.27 9.8 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 107.512 -1.292 . . . . 100.0 107.512 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 51.59 40.76 27.83 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.023 2.129 . . . . 100.0 112.581 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -65.34 -42.44 92.89 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 122.647 0.379 . . . . 100.0 111.893 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.4 p -73.02 147.24 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-O 121.623 0.725 . . . . 100.0 110.231 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CD1' HD11 ' A' ' 62' ' ' LEU . 38.4 m-85 53.34 45.94 27.39 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 126.992 2.117 . . . . 100.0 111.653 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.55 -44.62 92.52 Favored Pre-proline 0 N--CA 1.44 -0.961 0 CA-C-O 116.979 -1.486 . . . . 100.0 109.807 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -69.32 150.0 70.36 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 121.921 1.747 . . . . 100.0 108.305 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.82 130.91 44.69 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 123.565 0.54 . . . . 100.0 111.062 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 58' ' ' PHE . 84.1 mt -116.39 -54.17 2.48 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 107.374 -1.343 . . . . 100.0 107.374 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -125.21 149.5 47.9 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 124.126 0.971 . . . . 100.0 108.755 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.0 mtm -63.64 -41.93 98.2 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.92 1.288 . . . . 100.0 110.379 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.76 128.47 34.81 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 105.483 -2.043 . . . . 100.0 105.483 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -96.64 110.68 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-O 122.582 1.182 . . . . 100.0 107.934 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.1 t -128.04 132.76 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 1 N-CA-C 99.856 -4.127 . . . . 100.0 99.856 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.38 -42.35 96.19 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 109.113 -0.699 . . . . 100.0 109.113 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -95.16 98.53 10.7 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 106.913 -1.514 . . . . 100.0 106.913 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -132.62 140.31 48.15 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 105.038 -2.208 . . . . 100.0 105.038 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 . . . . . 0 C--O 1.26 1.654 0 N-CA-C 105.001 -2.222 . . . . 100.0 105.001 178.912 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.476 0 N-CA-C 108.647 -1.781 . . . . 100.0 108.647 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 54.01 51.82 13.97 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 125.151 1.38 . . . . 100.0 111.461 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.38 0.68 Allowed 'General case' 0 C--N 1.364 1.234 0 C-N-CA 127.797 2.439 . . . . 100.0 110.248 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.47 20.24 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 124.924 1.29 . . . . 100.0 109.091 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.59 75.3 10.3 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 106.852 -1.536 . . . . 100.0 106.852 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.8 39.9 26.57 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.558 2.343 . . . . 100.0 114.07 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 74.2 p 53.33 36.61 23.3 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.445 2.298 . . . . 100.0 115.952 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -66.23 -39.1 89.32 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.015 1.326 . . . . 100.0 112.05 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.81 -44.52 90.82 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 114.297 1.221 . . . . 100.0 114.297 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.03 37.48 28.98 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 115.976 1.843 . . . . 100.0 115.976 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.631 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.49 20.57 18.05 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.067 -1.021 . . . . 100.0 111.942 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.94 57.38 5.19 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.515 1.526 . . . . 100.0 114.257 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.875 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.86 124.98 61.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 CA-C-O 122.123 0.963 . . . . 100.0 110.881 179.148 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.4 t -163.92 169.31 18.29 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.436 -1.32 . . . . 100.0 107.436 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.72 -39.18 90.59 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 125.667 1.587 . . . . 100.0 109.661 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.1 t60 -92.05 -74.42 0.51 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 107.966 -1.124 . . . . 100.0 107.966 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.72 -39.48 0.07 Allowed 'General case' 0 C--N 1.368 1.372 0 N-CA-C 115.774 1.768 . . . . 100.0 115.774 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.38 -175.18 4.57 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 116.299 1.963 . . . . 100.0 116.299 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.2 p -71.68 163.19 28.23 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 118.726 -2.484 . . . . 100.0 111.223 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.2 m-85 -62.54 -23.73 67.13 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 113.096 0.776 . . . . 100.0 113.096 178.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.49 -42.01 98.55 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 107.801 -1.185 . . . . 100.0 107.801 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.23 9.84 38.24 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 124.695 1.198 . . . . 100.0 112.194 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.482 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.0 t -59.92 -43.01 93.64 Favored Pre-proline 0 C--N 1.363 1.177 0 CA-C-O 115.749 -2.072 . . . . 100.0 111.852 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 -37.7 81.46 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-N 122.815 2.041 . . . . 100.0 111.623 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.86 -45.19 90.58 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 124.324 1.05 . . . . 100.0 109.778 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.4 m -62.09 -42.02 98.78 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 124.751 1.221 . . . . 100.0 110.827 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.425 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.62 -44.73 93.08 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 123.739 0.816 . . . . 100.0 110.227 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.98 95.5 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 123.845 0.858 . . . . 100.0 112.217 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.72 -51.5 69.11 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 114.423 1.268 . . . . 100.0 114.423 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.545 HE21 ' HG2' ' A' ' 69' ' ' GLU . 42.7 tt0 -98.55 -24.52 15.09 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 113.284 0.846 . . . . 100.0 113.284 -177.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 75.58 -54.23 0.63 Allowed 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 126.46 1.904 . . . . 100.0 113.739 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -63.29 -64.7 0.83 Allowed 'General case' 0 C--N 1.365 1.245 0 CA-C-N 119.535 1.061 . . . . 100.0 110.45 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 73.2 m-80 46.11 46.63 12.96 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 116.045 1.869 . . . . 100.0 116.045 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.733 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.09 22.19 76.93 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 112.414 -0.274 . . . . 100.0 112.414 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 56.65 39.44 29.77 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 126.863 2.065 . . . . 100.0 113.49 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -62.89 -42.99 99.97 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 124.821 1.248 . . . . 100.0 107.738 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.8 mt -92.15 114.21 26.69 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 105.22 -2.141 . . . . 100.0 105.22 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.98 -36.79 85.52 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.111 1.364 . . . . 100.0 113.399 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.39 -29.25 63.92 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 126.468 1.907 . . . . 100.0 114.592 -177.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.86 -42.12 92.98 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.274 1.03 . . . . 100.0 112.086 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.38 136.05 47.57 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.804 0.812 . . . . 100.0 111.343 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.86 -39.68 94.77 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.073 1.349 . . . . 100.0 112.298 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.31 0.22 49.96 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 123.557 0.743 . . . . 100.0 112.248 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 75.76 -49.05 0.61 Allowed 'General case' 0 C--N 1.368 1.392 0 C-N-CA 126.423 1.889 . . . . 100.0 111.638 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -96.55 111.58 57.49 Favored Pre-proline 0 N--CA 1.435 -1.216 0 N-CA-C 106.672 -1.603 . . . . 100.0 106.672 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -81.28 170.74 14.52 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 125.002 3.801 . . . . 100.0 113.063 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -62.1 -44.84 95.78 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.885 -0.783 . . . . 100.0 108.885 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -110.03 104.96 13.92 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 108.194 -1.039 . . . . 100.0 108.194 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.7 tp -70.34 -40.8 73.91 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 123.856 0.862 . . . . 100.0 111.534 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.0 mt -67.7 147.5 52.56 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 116.342 1.979 . . . . 100.0 116.342 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TPO . . . . . 0.925 HG21 ' O1P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.733 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 16.4 t70 -70.87 135.52 48.08 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.097 -1.075 . . . . 100.0 108.097 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.77 -100.61 2.66 Favored Glycine 0 CA--C 1.487 -1.684 0 N-CA-C 104.641 -3.384 . . . . 100.0 104.641 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -118.31 101.16 7.98 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.671 -1.603 . . . . 100.0 106.671 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 52.82 40.62 30.99 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.779 2.031 . . . . 100.0 113.214 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -66.04 -40.77 91.27 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 116.175 -0.466 . . . . 100.0 111.221 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.42 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 8.2 p -71.8 144.89 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 C-N-CA 123.518 0.727 . . . . 100.0 110.278 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.338 94.1 m-85 52.6 48.06 23.35 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 126.012 1.725 . . . . 100.0 113.722 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.76 -45.94 92.92 Favored Pre-proline 0 C--N 1.357 0.925 0 CA-C-O 116.87 -1.538 . . . . 100.0 109.024 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.23 158.23 52.24 Favored 'Trans proline' 0 C--N 1.387 2.586 0 C-N-CA 122.099 1.866 . . . . 100.0 109.158 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.06 131.67 49.37 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 121.709 0.766 . . . . 100.0 110.167 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.4 tp -120.31 -58.78 1.83 Allowed 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 106.01 -1.848 . . . . 100.0 106.01 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -130.52 150.72 51.6 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 107.883 -1.154 . . . . 100.0 107.883 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.6 mmm -64.35 -40.87 96.72 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 124.231 1.012 . . . . 100.0 110.801 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -85.69 129.08 34.92 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 105.207 -2.146 . . . . 100.0 105.207 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -99.36 108.51 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 CA-C-O 122.424 1.107 . . . . 100.0 108.027 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.6 t -130.68 134.8 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 100.577 -3.86 . . . . 100.0 100.577 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -64.04 -42.35 97.09 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 109.017 -0.735 . . . . 100.0 109.017 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.545 ' HG2' HE21 ' A' ' 30' ' ' GLN . 73.3 mt-10 -86.7 81.16 8.31 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.549 0.69 . . . . 100.0 109.459 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.4 m -129.78 131.05 46.09 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 105.914 -1.884 . . . . 100.0 105.914 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--O 1.258 1.548 0 N-CA-C 105.489 -2.041 . . . . 100.0 105.489 178.958 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.523 0 N-CA-C 108.649 -1.78 . . . . 100.0 108.649 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 53.91 51.92 13.89 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.188 1.395 . . . . 100.0 111.46 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.3 m 73.73 -54.35 0.68 Allowed 'General case' 0 C--N 1.366 1.285 0 C-N-CA 127.796 2.438 . . . . 100.0 110.255 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 167.51 20.1 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.945 1.298 . . . . 100.0 109.111 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.58 75.25 10.3 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.89 -1.522 . . . . 100.0 106.89 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.88 39.77 26.58 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 127.567 2.347 . . . . 100.0 114.089 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 74.2 p 53.42 36.61 23.52 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 127.469 2.308 . . . . 100.0 115.916 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -66.19 -39.14 89.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.061 1.344 . . . . 100.0 112.047 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.87 -44.4 91.06 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 114.304 1.224 . . . . 100.0 114.304 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 54.92 37.56 28.95 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 115.942 1.83 . . . . 100.0 115.942 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.626 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.47 20.53 18.1 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 121.049 -1.032 . . . . 100.0 111.916 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.03 57.32 5.18 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.5 1.52 . . . . 100.0 114.279 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.863 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.82 124.92 61.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 122.087 0.946 . . . . 100.0 110.891 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.9 169.3 18.33 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.474 -1.306 . . . . 100.0 107.474 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.66 -39.2 90.51 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.647 1.579 . . . . 100.0 109.719 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.1 t60 -92.04 -74.46 0.51 Allowed 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 107.955 -1.128 . . . . 100.0 107.955 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.65 -39.46 0.08 Allowed 'General case' 0 C--N 1.368 1.381 0 N-CA-C 115.85 1.796 . . . . 100.0 115.85 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.42 -175.21 4.6 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 116.272 1.953 . . . . 100.0 116.272 -175.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.3 p -71.62 163.19 28.22 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 118.658 -2.526 . . . . 100.0 111.242 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.5 -23.74 67.11 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 113.117 0.784 . . . . 100.0 113.117 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.48 -42.05 98.58 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 107.83 -1.174 . . . . 100.0 107.83 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.21 9.84 38.23 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 124.704 1.202 . . . . 100.0 112.181 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.2 t -59.83 -43.05 94.07 Favored Pre-proline 0 C--N 1.362 1.151 0 CA-C-O 115.816 -2.04 . . . . 100.0 111.916 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.21 -37.69 81.4 Favored 'Trans proline' 0 C--N 1.381 2.239 0 CA-C-N 122.77 2.025 . . . . 100.0 111.604 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.87 -45.18 90.6 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 124.333 1.053 . . . . 100.0 109.755 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.14 -42.05 98.87 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 124.757 1.223 . . . . 100.0 110.806 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.425 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.56 -44.71 93.37 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 123.734 0.814 . . . . 100.0 110.219 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.96 95.39 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 123.841 0.856 . . . . 100.0 112.234 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.65 -51.53 68.98 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 114.433 1.271 . . . . 100.0 114.433 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.49 HE21 ' HG2' ' A' ' 69' ' ' GLU . 40.8 tt0 -100.56 -23.42 14.69 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 119.068 -1.053 . . . . 100.0 113.524 -177.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 74.56 -54.79 0.67 Allowed 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 125.506 1.522 . . . . 100.0 114.317 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.19 -64.57 0.85 Allowed 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.211 0.914 . . . . 100.0 109.742 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 74.3 m-80 47.91 45.03 18.85 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 115.894 1.813 . . . . 100.0 115.894 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.706 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.91 20.14 78.13 Favored Glycine 0 C--N 1.353 1.507 0 N-CA-C 111.638 -0.585 . . . . 100.0 111.638 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 55.43 42.6 29.82 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 127.008 2.123 . . . . 100.0 112.463 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -61.11 -45.87 92.91 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 128.691 2.796 . . . . 100.0 107.08 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -98.07 116.8 31.03 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 105.139 -2.171 . . . . 100.0 105.139 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.74 -36.26 83.72 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.635 1.574 . . . . 100.0 112.663 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -58.51 -27.26 64.32 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 125.934 1.694 . . . . 100.0 114.894 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.59 -42.41 96.69 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 123.403 0.681 . . . . 100.0 112.538 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -72.92 134.73 44.89 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.483 0.659 . . . . 100.0 110.678 -177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.18 -39.42 94.59 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 124.543 1.137 . . . . 100.0 112.413 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.68 -2.94 48.81 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.05 1.34 . . . . 100.0 111.783 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 75.39 -49.42 0.63 Allowed 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.316 2.647 . . . . 100.0 110.681 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -92.85 112.23 54.91 Favored Pre-proline 0 N--CA 1.437 -1.095 0 N-CA-C 107.269 -1.382 . . . . 100.0 107.269 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -82.72 172.15 11.41 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 124.972 3.781 . . . . 100.0 112.36 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -62.91 -44.39 96.21 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 123.509 0.724 . . . . 100.0 109.311 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -109.14 104.31 13.46 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 107.628 -1.249 . . . . 100.0 107.628 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.57 -40.58 73.22 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.269 -0.878 . . . . 100.0 111.424 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.1 mt -64.09 146.13 54.73 Favored 'General case' 0 CA--C 1.49 -1.358 0 N-CA-C 115.717 1.747 . . . . 100.0 115.717 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.706 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.4 t70 -70.75 134.35 47.36 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.725 -0.842 . . . . 100.0 108.725 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.94 -98.85 2.56 Favored Glycine 0 CA--C 1.49 -1.531 0 N-CA-C 105.065 -3.214 . . . . 100.0 105.065 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -118.48 102.8 9.19 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 106.916 -1.513 . . . . 100.0 106.916 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 52.93 38.37 26.85 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 126.972 2.109 . . . . 100.0 112.554 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -65.63 -42.02 91.98 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 112.491 0.552 . . . . 100.0 112.491 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.404 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 6.6 p -72.82 151.77 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.187 0 CA-C-O 121.38 0.61 . . . . 100.0 110.686 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 53.77 47.23 24.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 127.407 2.283 . . . . 100.0 110.335 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.97 -46.53 96.71 Favored Pre-proline 0 C--N 1.36 1.029 0 CA-C-O 116.523 -1.703 . . . . 100.0 109.414 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.92 146.98 54.39 Favored 'Trans proline' 0 C--N 1.383 2.356 0 CA-C-N 122.315 1.862 . . . . 100.0 107.843 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -71.42 131.87 43.97 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 112.618 0.599 . . . . 100.0 112.618 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.8 mt -115.32 -49.72 2.76 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 107.782 -1.192 . . . . 100.0 107.782 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -120.87 145.35 47.73 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.326 -0.99 . . . . 100.0 108.326 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.9 mtp -64.18 -41.99 96.88 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.384 1.074 . . . . 100.0 110.462 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -83.51 131.28 35.01 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 106.746 -1.576 . . . . 100.0 106.746 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.33 109.85 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 108.235 -1.024 . . . . 100.0 108.235 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.7 t -130.2 133.37 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 1 N-CA-C 100.045 -4.057 . . . . 100.0 100.045 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -64.72 -40.86 96.05 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 108.53 -0.915 . . . . 100.0 108.53 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.49 ' HG2' HE21 ' A' ' 30' ' ' GLN . 83.1 mt-10 -85.19 90.79 7.97 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.338 -1.356 . . . . 100.0 107.338 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.5 m -113.09 127.89 56.34 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 104.338 -2.467 . . . . 100.0 104.338 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 C--O 1.261 1.697 0 N-CA-C 107.354 -1.35 . . . . 100.0 107.354 -179.545 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.497 0 N-CA-C 108.632 -1.787 . . . . 100.0 108.632 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 54.02 51.84 13.92 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 125.216 1.406 . . . . 100.0 111.444 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.35 0.68 Allowed 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.818 2.447 . . . . 100.0 110.272 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 167.5 20.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 124.935 1.294 . . . . 100.0 109.095 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.54 75.18 10.3 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.899 -1.519 . . . . 100.0 106.899 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.97 39.79 26.88 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 127.539 2.336 . . . . 100.0 114.032 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 74.3 p 53.31 36.63 23.3 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.491 2.316 . . . . 100.0 116.001 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.24 -39.1 89.3 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.038 1.335 . . . . 100.0 111.998 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.79 -44.55 90.77 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.285 1.217 . . . . 100.0 114.285 -175.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 54.99 37.52 29.04 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 115.964 1.838 . . . . 100.0 115.964 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.629 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.47 20.54 18.08 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 121.081 -1.012 . . . . 100.0 111.963 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.05 57.27 5.21 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.509 1.524 . . . . 100.0 114.275 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.864 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.77 124.9 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-O 122.055 0.931 . . . . 100.0 110.937 179.201 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.91 169.26 18.37 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.467 -1.308 . . . . 100.0 107.467 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.65 -39.23 90.63 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 125.641 1.576 . . . . 100.0 109.642 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 68.9 t60 -91.99 -74.45 0.51 Allowed 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 107.973 -1.121 . . . . 100.0 107.973 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.7 -39.51 0.07 Allowed 'General case' 0 C--N 1.368 1.383 0 N-CA-C 115.797 1.777 . . . . 100.0 115.797 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.36 -175.18 4.57 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 116.323 1.971 . . . . 100.0 116.323 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 p -71.69 163.18 28.26 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 118.681 -2.512 . . . . 100.0 111.201 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.487 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.5 m-85 -62.54 -23.63 67.08 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 113.142 0.793 . . . . 100.0 113.142 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.54 -42.02 98.44 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 107.814 -1.18 . . . . 100.0 107.814 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.25 9.88 38.15 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 124.718 1.207 . . . . 100.0 112.182 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.87 -43.06 93.94 Favored Pre-proline 0 C--N 1.362 1.124 0 CA-C-O 115.769 -2.062 . . . . 100.0 111.867 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.24 -37.69 81.15 Favored 'Trans proline' 0 C--N 1.38 2.219 0 CA-C-N 122.781 2.029 . . . . 100.0 111.565 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.89 -45.15 90.67 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 124.311 1.044 . . . . 100.0 109.743 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.14 -42.03 98.84 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.768 1.227 . . . . 100.0 110.767 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -63.64 -44.73 92.98 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.776 0.83 . . . . 100.0 110.183 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.94 95.37 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 123.811 0.845 . . . . 100.0 112.239 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.63 -49.65 76.67 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 114.41 1.263 . . . . 100.0 114.41 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -104.97 -22.76 13.07 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 116.255 1.946 . . . . 100.0 116.255 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.261 89.4 m-85 72.68 -55.57 0.67 Allowed 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 116.26 1.948 . . . . 100.0 116.26 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -64.34 -62.81 1.37 Allowed 'General case' 0 C--N 1.361 1.075 0 CA-C-N 118.998 0.817 . . . . 100.0 109.713 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . 0.262 75.5 m-80 46.02 46.82 12.74 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 116.749 2.129 . . . . 100.0 116.749 177.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.72 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.46 19.31 79.47 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 112.075 -0.41 . . . . 100.0 112.075 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.253 90.8 m-85 56.11 41.82 29.08 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 127.088 2.155 . . . . 100.0 113.911 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -61.52 -45.2 95.18 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 126.506 1.922 . . . . 100.0 108.006 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.07 113.84 25.89 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 104.424 -2.436 . . . . 100.0 104.424 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.94 -26.24 65.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.923 1.289 . . . . 100.0 111.914 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.44 -36.2 73.28 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 128.718 2.807 . . . . 100.0 112.465 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -59.97 -41.26 91.59 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.358 1.063 . . . . 100.0 112.788 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.02 133.74 48.53 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 121.748 0.785 . . . . 100.0 109.951 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.09 -39.52 94.94 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 125.096 1.358 . . . . 100.0 112.28 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -90.28 7.79 36.57 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 123.716 0.806 . . . . 100.0 112.931 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 74.57 -53.01 0.68 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 126.602 1.961 . . . . 100.0 112.653 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -95.26 112.15 57.58 Favored Pre-proline 0 C--N 1.358 0.957 0 CA-C-N 119.469 1.031 . . . . 100.0 110.599 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -81.51 171.77 13.16 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 125.012 3.808 . . . . 100.0 112.081 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.84 -43.41 98.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.91 0.756 . . . . 100.0 110.691 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -108.92 102.35 11.37 Favored 'General case' 0 CA--C 1.494 -1.198 0 N-CA-C 107.134 -1.432 . . . . 100.0 107.134 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -70.57 -40.44 73.32 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.461 -1.245 . . . . 100.0 112.435 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt -66.6 145.67 55.34 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 114.934 1.457 . . . . 100.0 114.934 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.72 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 12.6 t70 -69.52 133.13 47.3 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 108.108 -1.071 . . . . 100.0 108.108 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.52 -100.24 2.64 Favored Glycine 0 CA--C 1.485 -1.786 0 N-CA-C 104.187 -3.565 . . . . 100.0 104.187 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -116.06 103.64 10.77 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 107.351 -1.351 . . . . 100.0 107.351 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 51.61 40.74 27.83 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 126.749 2.019 . . . . 100.0 113.368 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -65.74 -41.65 91.94 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 122.814 0.446 . . . . 100.0 111.71 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 9.0 p -73.59 151.53 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.145 0 C-N-CA 123.623 0.769 . . . . 100.0 109.726 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 55.06 43.86 29.0 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 126.536 1.934 . . . . 100.0 111.157 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.21 -46.26 95.62 Favored Pre-proline 0 C--N 1.361 1.105 0 CA-C-O 116.969 -1.491 . . . . 100.0 111.102 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -72.77 159.36 48.62 Favored 'Trans proline' 0 C--N 1.379 2.139 0 CA-C-N 122.114 1.791 . . . . 100.0 109.449 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -64.08 131.35 47.25 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 121.222 0.534 . . . . 100.0 111.761 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.6 tp -115.54 -59.05 2.05 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 104.295 -2.483 . . . . 100.0 104.295 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -133.51 153.49 51.6 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 123.922 0.889 . . . . 100.0 108.676 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 87.0 mtp -64.13 -41.46 97.21 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.447 0.699 . . . . 100.0 111.798 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -81.24 128.33 33.67 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 105.446 -2.057 . . . . 100.0 105.446 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -99.83 111.45 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-O 122.772 1.272 . . . . 100.0 109.284 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.06 134.51 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 N-CA-C 100.88 -3.748 . . . . 100.0 100.88 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.18 -41.75 94.29 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.691 -0.855 . . . . 100.0 108.691 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -86.49 85.01 7.3 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.255 -1.017 . . . . 100.0 108.255 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -125.01 134.7 52.48 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 106.381 -1.711 . . . . 100.0 106.381 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 . . . . . 0 C--O 1.26 1.657 0 CA-C-N 114.808 -1.087 . . . . 100.0 108.796 179.673 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.479 0 N-CA-C 108.654 -1.778 . . . . 100.0 108.654 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t 53.96 51.84 13.98 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.174 1.39 . . . . 100.0 111.468 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.7 m 73.88 -54.39 0.68 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.776 2.43 . . . . 100.0 110.264 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.17 167.53 20.1 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 124.907 1.283 . . . . 100.0 109.114 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.6 75.27 10.31 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 106.851 -1.537 . . . . 100.0 106.851 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.89 39.84 26.73 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.549 2.339 . . . . 100.0 114.043 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.262 73.7 p 53.38 36.56 23.3 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 127.464 2.306 . . . . 100.0 115.944 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -66.22 -39.08 89.33 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.035 1.334 . . . . 100.0 112.078 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.74 -44.52 90.52 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.367 1.247 . . . . 100.0 114.367 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 54.98 37.53 29.02 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.941 1.83 . . . . 100.0 115.941 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.631 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.43 20.47 18.18 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.029 -1.044 . . . . 100.0 111.962 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.09 57.26 5.19 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.456 1.502 . . . . 100.0 114.259 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.868 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.78 124.95 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-O 122.101 0.953 . . . . 100.0 110.911 179.18 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.9 169.33 18.29 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.46 -1.311 . . . . 100.0 107.46 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.18 90.54 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.642 1.577 . . . . 100.0 109.716 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.04 -74.47 0.51 Allowed 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.943 -1.132 . . . . 100.0 107.943 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -156.7 -39.44 0.07 Allowed 'General case' 0 C--N 1.368 1.382 0 N-CA-C 115.799 1.777 . . . . 100.0 115.799 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.31 -175.15 4.53 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 116.343 1.979 . . . . 100.0 116.343 -175.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.3 p -71.67 163.22 28.17 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 118.742 -2.474 . . . . 100.0 111.18 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.478 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.1 m-85 -62.6 -23.69 67.17 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 113.09 0.774 . . . . 100.0 113.09 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.53 -41.99 98.45 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.785 -1.191 . . . . 100.0 107.785 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.22 9.84 38.23 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 124.746 1.218 . . . . 100.0 112.219 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.84 -43.03 93.99 Favored Pre-proline 0 C--N 1.362 1.138 0 CA-C-O 115.827 -2.035 . . . . 100.0 111.93 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.19 -37.76 81.11 Favored 'Trans proline' 0 C--N 1.381 2.252 0 CA-C-N 122.79 2.032 . . . . 100.0 111.603 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.83 -45.16 90.81 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 124.292 1.037 . . . . 100.0 109.796 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.09 -42.08 98.85 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 124.777 1.231 . . . . 100.0 110.786 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.426 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.66 -44.65 93.17 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 123.735 0.814 . . . . 100.0 110.189 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.0 95.51 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 123.852 0.861 . . . . 100.0 112.251 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.71 -48.4 81.95 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 114.436 1.273 . . . . 100.0 114.436 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -105.02 -21.75 13.23 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 113.913 1.079 . . . . 100.0 113.913 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.289 91.4 m-85 74.38 -54.58 0.67 Allowed 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 116.239 1.94 . . . . 100.0 116.239 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -66.69 -62.53 1.4 Allowed 'General case' 0 C--N 1.36 1.055 0 CA-C-N 119.431 1.014 . . . . 100.0 110.479 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.426 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 72.6 m-80 47.81 45.24 18.49 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 114.883 1.438 . . . . 100.0 114.883 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.662 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 73.12 23.32 77.91 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-O 119.927 -0.374 . . . . 100.0 112.29 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 95.8 m-85 56.42 41.51 28.79 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.258 1.823 . . . . 100.0 112.974 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -61.07 -46.15 91.83 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.957 2.103 . . . . 100.0 106.936 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.3 mt -96.98 118.03 32.49 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 105.01 -2.219 . . . . 100.0 105.01 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.48 -24.11 64.65 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.968 1.307 . . . . 100.0 111.676 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -57.9 -35.66 71.35 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 128.756 2.822 . . . . 100.0 112.209 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.97 -43.31 91.34 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.266 1.426 . . . . 100.0 113.036 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.52 136.37 49.32 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.336 0.588 . . . . 100.0 110.543 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -62.8 -41.08 99.13 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 124.492 1.117 . . . . 100.0 112.455 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -88.95 4.13 49.14 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.331 0.652 . . . . 100.0 112.008 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.7 t90 74.06 -45.02 0.58 Allowed 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.969 2.508 . . . . 100.0 112.61 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -91.62 109.28 35.43 Favored Pre-proline 0 C--N 1.359 1.003 0 N-CA-C 106.338 -1.727 . . . . 100.0 106.338 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -81.59 168.19 16.38 Favored 'Trans proline' 0 C--N 1.365 1.446 0 C-N-CA 124.813 3.675 . . . . 100.0 114.608 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -64.33 -44.49 91.34 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 124.166 0.916 . . . . 100.0 109.638 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 81.4 mm-40 -109.27 101.43 10.44 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 105.275 -2.12 . . . . 100.0 105.275 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.7 tp -70.1 -39.95 75.23 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.813 1.245 . . . . 100.0 112.52 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.688 ' C ' ' O3P' ' A' ' 51' ' ' TPO . 64.3 mt -63.19 144.05 57.26 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 115.782 1.771 . . . . 100.0 115.782 -178.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TPO . . . . . 1.285 ' N ' ' O3P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.662 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 14.7 t70 -70.78 133.2 46.35 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 108.252 -1.018 . . . . 100.0 108.252 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.42 -98.8 2.57 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 104.18 -3.568 . . . . 100.0 104.18 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -115.78 103.53 10.75 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 105.983 -1.858 . . . . 100.0 105.983 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 51.79 41.01 28.91 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.725 1.61 . . . . 100.0 114.419 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -67.18 -41.69 85.48 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.395 -0.816 . . . . 100.0 111.896 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.0 150.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 C-N-CA 123.786 0.834 . . . . 100.0 109.912 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 54.13 47.48 23.12 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 125.452 1.501 . . . . 100.0 111.19 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.14 -45.02 95.78 Favored Pre-proline 0 N--CA 1.44 -0.958 0 CA-C-O 117.19 -1.386 . . . . 100.0 109.713 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -71.89 156.83 56.07 Favored 'Trans proline' 0 C--N 1.383 2.351 0 C-N-CA 121.906 1.737 . . . . 100.0 109.077 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.06 130.92 44.69 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 109.226 -0.657 . . . . 100.0 109.226 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.3 tp -119.63 -54.95 2.14 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 106.925 -1.509 . . . . 100.0 106.925 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -128.22 154.92 45.31 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 108.207 -1.035 . . . . 100.0 108.207 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.3 mtp -63.0 -42.83 99.95 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 124.709 1.203 . . . . 100.0 111.232 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -88.69 129.93 35.42 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 105.768 -1.938 . . . . 100.0 105.768 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.94 107.18 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 N-CA-C 106.269 -1.752 . . . . 100.0 106.269 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.04 135.56 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 N-CA-C 100.477 -3.898 . . . . 100.0 100.477 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -65.27 -41.98 93.68 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.008 -1.108 . . . . 100.0 108.008 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -86.14 89.35 7.8 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 122.002 0.906 . . . . 100.0 108.87 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -130.64 138.9 50.31 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 103.488 -2.782 . . . . 100.0 103.488 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.261 1.676 0 N-CA-C 105.609 -1.996 . . . . 100.0 105.609 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.517 0 N-CA-C 108.647 -1.781 . . . . 100.0 108.647 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t 53.98 51.83 13.98 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.2 1.4 . . . . 100.0 111.506 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m 73.81 -54.36 0.68 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.833 2.453 . . . . 100.0 110.248 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.11 167.52 20.07 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.896 1.278 . . . . 100.0 109.114 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.55 75.19 10.3 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.898 -1.519 . . . . 100.0 106.898 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.88 39.81 26.63 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.566 2.346 . . . . 100.0 114.084 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 72.7 p 53.38 36.62 23.45 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 127.486 2.314 . . . . 100.0 115.962 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -66.25 -39.08 89.26 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.029 1.332 . . . . 100.0 111.999 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.82 -44.47 90.87 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 114.33 1.233 . . . . 100.0 114.33 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 54.99 37.51 29.0 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 115.911 1.819 . . . . 100.0 115.911 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.626 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.42 20.49 18.16 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 121.049 -1.032 . . . . 100.0 111.982 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.97 57.37 5.17 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.487 1.515 . . . . 100.0 114.3 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.87 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.88 125.01 61.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 CA-C-O 122.126 0.965 . . . . 100.0 110.866 179.197 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.98 169.24 18.29 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.459 -1.311 . . . . 100.0 107.459 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.68 -39.13 90.35 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 125.632 1.573 . . . . 100.0 109.704 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.08 -74.36 0.52 Allowed 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 108.021 -1.103 . . . . 100.0 108.021 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -156.73 -39.53 0.07 Allowed 'General case' 0 C--N 1.367 1.37 0 N-CA-C 115.811 1.782 . . . . 100.0 115.811 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.32 -175.14 4.52 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 116.365 1.987 . . . . 100.0 116.365 -175.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.1 p -71.74 163.2 28.23 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 118.718 -2.489 . . . . 100.0 111.167 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.5 -23.75 67.11 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 113.102 0.778 . . . . 100.0 113.102 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.45 -42.03 98.65 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 107.845 -1.169 . . . . 100.0 107.845 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -95.24 9.85 38.22 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.706 1.203 . . . . 100.0 112.167 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.483 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.83 -43.05 94.05 Favored Pre-proline 0 C--N 1.362 1.142 0 CA-C-O 115.798 -2.049 . . . . 100.0 111.933 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.18 -37.73 81.43 Favored 'Trans proline' 0 C--N 1.38 2.229 0 CA-C-N 122.782 2.029 . . . . 100.0 111.554 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.91 -45.2 90.37 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.301 1.04 . . . . 100.0 109.706 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.08 -42.06 98.82 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 124.787 1.235 . . . . 100.0 110.777 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.416 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.59 -44.76 93.1 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.765 0.826 . . . . 100.0 110.183 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.94 95.4 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 123.753 0.821 . . . . 100.0 112.286 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.7 -50.93 71.5 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 114.409 1.263 . . . . 100.0 114.409 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.486 HE22 ' HE2' ' A' ' 68' ' ' PHE . 10.1 tt0 -101.49 -23.62 14.29 Favored 'General case' 0 C--N 1.366 1.316 0 N-CA-C 113.756 1.021 . . . . 100.0 113.756 -176.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 74.62 -54.93 0.66 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 126.539 1.936 . . . . 100.0 114.264 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -65.55 -62.41 1.53 Allowed 'General case' 0 C--N 1.366 1.291 0 CA-C-N 119.715 1.143 . . . . 100.0 110.97 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 65.8 m-80 48.64 44.61 21.33 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 115.744 1.757 . . . . 100.0 115.744 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.627 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.91 20.6 79.38 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.144 -0.782 . . . . 100.0 111.144 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 55.62 41.79 30.21 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 127.307 2.243 . . . . 100.0 113.753 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -60.54 -46.02 91.73 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 127.57 2.348 . . . . 100.0 108.302 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.66 113.21 24.9 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 104.396 -2.446 . . . . 100.0 104.396 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.18 -34.96 79.62 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 125.643 1.577 . . . . 100.0 112.919 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.1 -25.32 63.71 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.778 2.031 . . . . 100.0 113.399 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.5 -42.44 96.37 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.26 1.024 . . . . 100.0 111.489 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.91 134.34 44.75 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.825 0.821 . . . . 100.0 110.799 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.44 -39.03 93.39 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 125.139 1.376 . . . . 100.0 112.41 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -86.34 2.81 46.08 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.999 0.92 . . . . 100.0 112.18 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 75.97 -49.74 0.6 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.117 2.567 . . . . 100.0 111.161 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -96.95 111.25 57.15 Favored Pre-proline 0 N--CA 1.438 -1.032 0 CA-C-N 118.945 0.793 . . . . 100.0 109.775 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -82.52 173.91 10.18 Favored 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 124.876 3.717 . . . . 100.0 112.068 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.36 -43.56 98.54 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 123.985 0.914 . . . . 100.0 111.037 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -107.41 101.91 11.23 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.908 -1.515 . . . . 100.0 106.908 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.85 -39.52 72.89 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 112.939 0.718 . . . . 100.0 112.939 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -63.05 141.76 58.64 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 125.474 1.51 . . . . 100.0 113.97 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TPO . . . . . 0.906 HG21 ' O1P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.627 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 11.5 t70 -68.91 132.8 47.31 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-O 121.543 0.687 . . . . 100.0 109.754 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.49 -99.19 2.56 Favored Glycine 0 CA--C 1.487 -1.662 0 N-CA-C 104.014 -3.634 . . . . 100.0 104.014 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -118.32 102.15 8.74 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 107.433 -1.321 . . . . 100.0 107.433 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 52.77 40.22 30.11 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 126.546 1.939 . . . . 100.0 112.642 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.77 -41.14 92.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 122.659 0.384 . . . . 100.0 111.67 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.27 150.35 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 123.166 0.586 . . . . 100.0 109.432 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 55.07 47.17 22.57 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.957 1.703 . . . . 100.0 112.363 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.95 -47.81 94.46 Favored Pre-proline 0 C--N 1.359 0.99 0 CA-C-O 116.805 -1.569 . . . . 100.0 109.912 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.87 155.85 53.08 Favored 'Trans proline' 0 C--N 1.379 2.184 0 CA-C-N 122.277 1.849 . . . . 100.0 109.166 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -67.44 131.58 45.96 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 121.428 0.632 . . . . 100.0 110.485 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.4 tp -115.56 -55.92 2.39 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.384 -1.71 . . . . 100.0 106.384 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -129.15 151.0 50.29 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 107.43 -1.322 . . . . 100.0 107.43 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.7 mmm -64.78 -40.21 94.87 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 123.616 0.766 . . . . 100.0 111.298 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -81.26 124.79 29.61 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 105.006 -2.22 . . . . 100.0 105.006 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.6 109.55 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 108.029 -1.1 . . . . 100.0 108.029 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.04 137.09 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 100.739 -3.8 . . . . 100.0 100.739 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.486 ' HE2' HE22 ' A' ' 30' ' ' GLN . 50.8 t80 -64.9 -42.01 95.11 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.625 -0.88 . . . . 100.0 108.625 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -85.68 84.73 7.5 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.148 -0.686 . . . . 100.0 109.148 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -125.03 134.26 52.62 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 105.246 -2.131 . . . . 100.0 105.246 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 . . . . . 0 C--O 1.261 1.7 0 N-CA-C 104.683 -2.34 . . . . 100.0 104.683 178.943 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.495 0 N-CA-C 108.622 -1.791 . . . . 100.0 108.622 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 54.02 51.8 13.99 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.223 1.409 . . . . 100.0 111.492 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.32 0.68 Allowed 'General case' 0 C--N 1.366 1.284 0 C-N-CA 127.8 2.44 . . . . 100.0 110.253 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.54 20.11 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 124.938 1.295 . . . . 100.0 109.078 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.58 75.17 10.31 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.849 -1.537 . . . . 100.0 106.849 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.93 39.85 26.9 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.576 2.351 . . . . 100.0 114.005 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 74.7 p 53.37 36.6 23.37 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 127.475 2.31 . . . . 100.0 115.93 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -39.11 89.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.044 1.338 . . . . 100.0 112.018 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.83 -44.5 90.93 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.289 1.218 . . . . 100.0 114.289 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.0 37.51 29.03 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 115.967 1.839 . . . . 100.0 115.967 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.633 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.45 20.47 18.17 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 121.012 -1.055 . . . . 100.0 111.937 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.05 57.3 5.18 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.499 1.52 . . . . 100.0 114.298 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.857 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.8 124.9 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 122.078 0.942 . . . . 100.0 110.947 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.86 169.29 18.41 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.982 1.313 . . . . 100.0 107.46 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.16 90.5 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 125.638 1.575 . . . . 100.0 109.726 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.04 -74.4 0.51 Allowed 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 108.012 -1.107 . . . . 100.0 108.012 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.4 p -156.71 -39.48 0.07 Allowed 'General case' 0 C--N 1.367 1.366 0 N-CA-C 115.821 1.786 . . . . 100.0 115.821 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.35 -175.16 4.55 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 116.368 1.988 . . . . 100.0 116.368 -175.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.6 p -71.69 163.24 28.15 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 118.72 -2.487 . . . . 100.0 111.232 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.487 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.57 -23.7 67.15 Favored 'General case' 0 C--N 1.358 0.97 0 N-CA-C 113.118 0.784 . . . . 100.0 113.118 178.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.5 -42.05 98.53 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.8 -1.185 . . . . 100.0 107.8 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.19 9.89 38.0 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.684 1.194 . . . . 100.0 112.223 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.85 -43.07 94.01 Favored Pre-proline 0 C--N 1.362 1.134 0 CA-C-O 115.845 -2.026 . . . . 100.0 111.922 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.14 -37.77 81.47 Favored 'Trans proline' 0 C--N 1.381 2.272 0 CA-C-N 122.748 2.017 . . . . 100.0 111.619 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 -45.12 90.95 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.27 1.028 . . . . 100.0 109.812 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.1 m -62.16 -42.02 98.87 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.74 1.216 . . . . 100.0 110.747 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -63.63 -44.68 93.18 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 123.76 0.824 . . . . 100.0 110.193 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.87 95.13 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 123.746 0.818 . . . . 100.0 112.274 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.73 -51.24 70.18 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 114.38 1.252 . . . . 100.0 114.38 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -100.41 -26.32 13.91 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 119.078 -1.049 . . . . 100.0 113.831 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 74.82 -52.99 0.68 Allowed 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 125.728 1.611 . . . . 100.0 113.571 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -63.87 -63.33 1.19 Allowed 'General case' 0 C--N 1.363 1.169 0 CA-C-N 119.582 1.083 . . . . 100.0 110.374 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 49.05 43.82 22.39 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.459 1.504 . . . . 100.0 114.678 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.658 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.27 21.92 76.97 Favored Glycine 0 C--N 1.355 1.603 0 O-C-N 122.078 -0.389 . . . . 100.0 112.151 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 95.2 m-85 57.06 39.08 29.44 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.737 2.015 . . . . 100.0 112.913 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -62.31 -43.82 97.95 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.631 1.572 . . . . 100.0 107.975 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.4 mt -92.77 114.53 27.11 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.896 -2.261 . . . . 100.0 104.896 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.64 -36.48 84.41 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.755 1.622 . . . . 100.0 112.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.54 -23.44 64.59 Favored 'General case' 0 CA--C 1.504 -0.825 0 C-N-CA 126.142 1.777 . . . . 100.0 115.082 -177.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -60.12 -43.77 95.37 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.888 1.275 . . . . 100.0 111.678 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.52 136.37 45.86 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 121.701 0.763 . . . . 100.0 110.815 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.55 -39.71 95.13 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 124.72 1.208 . . . . 100.0 112.62 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -85.84 -1.43 57.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.525 0.73 . . . . 100.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.425 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 92.3 t90 73.81 -40.24 0.45 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.06 2.944 . . . . 100.0 112.116 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -91.29 107.14 19.33 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 105.382 -2.081 . . . . 100.0 105.382 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 27.4 Cg_endo -81.56 168.02 16.56 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 124.531 3.487 . . . . 100.0 114.341 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -63.93 -44.7 92.09 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 124.631 1.173 . . . . 100.0 109.296 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 67.8 mm-40 -111.34 105.31 13.91 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 105.501 -2.037 . . . . 100.0 105.501 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.0 -41.5 74.27 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 113.411 0.893 . . . . 100.0 113.411 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -68.77 148.07 50.86 Favored 'General case' 0 CA--C 1.489 -1.404 0 N-CA-C 116.146 1.906 . . . . 100.0 116.146 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TPO . . . . . 0.916 HG21 ' O1P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.658 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 19.6 t70 -71.12 133.55 46.31 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 107.609 -1.256 . . . . 100.0 107.609 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.5 -98.97 2.5 Favored Glycine 0 CA--C 1.484 -1.879 0 N-CA-C 104.048 -3.621 . . . . 100.0 104.048 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -119.06 102.24 8.6 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 106.871 -1.529 . . . . 100.0 106.871 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 52.5 39.03 27.1 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 127.244 2.218 . . . . 100.0 113.009 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.29 -41.18 90.17 Favored 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 123.33 0.652 . . . . 100.0 111.503 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.03 147.16 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 C-N-CA 123.48 0.712 . . . . 100.0 110.227 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.42 ' CD1' HD11 ' A' ' 62' ' ' LEU . 49.6 m-85 53.51 48.45 21.73 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 126.867 2.067 . . . . 100.0 112.142 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.26 -44.55 93.66 Favored Pre-proline 0 C--N 1.357 0.91 0 CA-C-O 116.698 -1.62 . . . . 100.0 109.208 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.87 151.21 78.54 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.007 1.805 . . . . 100.0 109.252 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.31 132.22 47.29 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.647 0.592 . . . . 100.0 110.436 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD11 ' CD1' ' A' ' 58' ' ' PHE . 85.0 mt -114.82 -55.11 2.52 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.605 -1.628 . . . . 100.0 106.605 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -130.99 153.4 49.26 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.358 -1.349 . . . . 100.0 107.358 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.3 mtp -63.37 -42.09 98.85 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.421 1.088 . . . . 100.0 111.3 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -82.97 130.1 35.1 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 106.483 -1.673 . . . . 100.0 106.483 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.54 108.75 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 CA-C-O 122.47 1.129 . . . . 100.0 108.435 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.0 t -128.48 133.4 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 1 N-CA-C 100.104 -4.036 . . . . 100.0 100.104 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.88 -41.26 95.78 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.338 -0.986 . . . . 100.0 108.338 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.54 88.27 7.61 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.523 -0.917 . . . . 100.0 108.523 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.3 m -122.56 132.6 54.38 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 104.397 -2.445 . . . . 100.0 104.397 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 . . . . . 0 C--O 1.263 1.765 0 N-CA-C 106.522 -1.659 . . . . 100.0 106.522 179.289 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.525 0 N-CA-C 108.664 -1.774 . . . . 100.0 108.664 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 53.94 51.86 13.97 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 125.223 1.409 . . . . 100.0 111.45 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.85 -54.41 0.68 Allowed 'General case' 0 C--N 1.365 1.273 0 C-N-CA 127.807 2.443 . . . . 100.0 110.204 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.07 167.51 20.05 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 124.895 1.278 . . . . 100.0 109.135 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.56 75.21 10.3 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 106.843 -1.54 . . . . 100.0 106.843 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.93 39.77 26.72 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.569 2.348 . . . . 100.0 114.031 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.263 74.8 p 53.47 36.54 23.45 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.407 2.283 . . . . 100.0 115.952 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -66.24 -39.07 89.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.984 1.313 . . . . 100.0 112.039 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.79 -44.51 90.75 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 114.307 1.225 . . . . 100.0 114.307 -175.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 54.96 37.53 28.98 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 115.975 1.843 . . . . 100.0 115.975 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.629 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.49 20.56 18.05 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 121.053 -1.03 . . . . 100.0 111.946 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 56.03 57.32 5.18 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.508 1.523 . . . . 100.0 114.287 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.863 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.85 124.95 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-O 122.108 0.956 . . . . 100.0 110.892 179.224 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.89 169.27 18.39 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 124.967 1.307 . . . . 100.0 107.522 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.464 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.68 -39.2 90.59 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 125.668 1.587 . . . . 100.0 109.663 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.2 t60 -92.06 -74.42 0.51 Allowed 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.944 -1.132 . . . . 100.0 107.944 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -156.71 -39.52 0.07 Allowed 'General case' 0 C--N 1.367 1.355 0 N-CA-C 115.794 1.775 . . . . 100.0 115.794 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.36 -175.18 4.56 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 116.296 1.961 . . . . 100.0 116.296 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.4 p -71.64 163.22 28.16 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 118.664 -2.522 . . . . 100.0 111.211 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.485 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.54 -23.78 67.16 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 113.06 0.763 . . . . 100.0 113.06 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.46 -41.99 98.63 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.839 -1.171 . . . . 100.0 107.839 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -95.28 9.92 38.02 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 124.682 1.193 . . . . 100.0 112.183 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.86 -43.07 93.97 Favored Pre-proline 0 C--N 1.363 1.17 0 CA-C-O 115.768 -2.063 . . . . 100.0 111.893 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.17 -37.77 81.25 Favored 'Trans proline' 0 C--N 1.379 2.176 0 CA-C-N 122.773 2.026 . . . . 100.0 111.568 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.83 -45.13 90.95 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.368 1.043 . . . . 100.0 109.82 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.18 -42.05 98.91 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.8 1.24 . . . . 100.0 110.751 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.428 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.58 -44.74 93.19 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.8 0.84 . . . . 100.0 110.178 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.89 95.16 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 123.719 0.808 . . . . 100.0 112.219 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.68 -50.38 73.74 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 114.421 1.267 . . . . 100.0 114.421 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.454 HE21 ' HG2' ' A' ' 69' ' ' GLU . 45.9 tt0 -102.65 -26.06 13.33 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 119.374 -0.931 . . . . 100.0 113.389 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.291 87.6 m-85 74.77 -52.56 0.68 Allowed 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 125.779 1.632 . . . . 100.0 114.607 -177.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -62.54 -64.25 0.98 Allowed 'General case' 0 C--N 1.36 1.047 0 CA-C-N 119.105 0.866 . . . . 100.0 110.214 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 71.4 m-80 46.96 45.76 15.54 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 115.849 1.796 . . . . 100.0 115.849 176.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.69 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.79 21.99 77.71 Favored Glycine 0 C--N 1.355 1.599 0 C-N-CA 121.513 -0.375 . . . . 100.0 112.187 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 85.3 m-85 56.51 41.18 29.04 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 126.873 2.069 . . . . 100.0 112.85 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.466 ' HD1' HG23 ' A' ' 51' ' ' TPO . 30.1 t80 -61.59 -44.77 96.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 127.015 2.126 . . . . 100.0 107.763 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.7 mt -96.49 116.24 28.75 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 104.958 -2.238 . . . . 100.0 104.958 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.08 -34.84 79.37 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 125.299 1.44 . . . . 100.0 113.005 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -57.59 -28.67 63.82 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 127.364 2.266 . . . . 100.0 113.256 -177.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.66 -43.36 93.98 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.225 1.41 . . . . 100.0 112.567 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.23 135.74 49.29 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 121.691 0.758 . . . . 100.0 111.538 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.55 -40.61 97.37 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 125.125 1.37 . . . . 100.0 111.968 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -88.9 3.87 49.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 123.634 0.774 . . . . 100.0 112.309 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.7 t-105 75.33 -49.9 0.64 Allowed 'General case' 0 C--N 1.364 1.199 0 C-N-CA 127.416 2.286 . . . . 100.0 111.986 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -94.13 112.12 56.03 Favored Pre-proline 0 N--CA 1.436 -1.167 0 N-CA-C 107.573 -1.269 . . . . 100.0 107.573 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -81.93 169.74 14.5 Favored 'Trans proline' 0 C--N 1.362 1.272 0 C-N-CA 124.996 3.797 . . . . 100.0 112.654 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.37 -43.88 96.37 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 109.091 -0.707 . . . . 100.0 109.091 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 79.1 mm-40 -109.77 103.88 12.76 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.545 -0.909 . . . . 100.0 108.545 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.8 tp -70.22 -40.33 74.6 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.665 -1.152 . . . . 100.0 111.349 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt -63.63 144.45 57.0 Favored 'General case' 0 CA--C 1.489 -1.387 0 N-CA-C 115.163 1.542 . . . . 100.0 115.163 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TPO . . . . . 0.922 HG22 ' O3P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.69 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.2 t70 -69.84 133.79 47.78 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 108.203 -1.036 . . . . 100.0 108.203 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.62 -98.52 2.49 Favored Glycine 0 CA--C 1.485 -1.811 0 N-CA-C 103.562 -3.815 . . . . 100.0 103.562 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -118.75 102.76 9.07 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 107.663 -1.236 . . . . 100.0 107.663 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 52.57 39.9 28.94 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.393 2.277 . . . . 100.0 112.811 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -65.47 -42.05 92.67 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 116.333 -0.394 . . . . 100.0 111.41 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.17 156.64 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 109.378 -0.601 . . . . 100.0 109.378 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 57.04 42.94 25.25 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 126.026 1.73 . . . . 100.0 110.594 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -61.04 -47.39 95.43 Favored Pre-proline 0 C--N 1.36 1.027 0 CA-C-O 116.741 -1.6 . . . . 100.0 110.092 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -73.79 157.42 47.84 Favored 'Trans proline' 0 C--N 1.379 2.153 0 CA-C-N 122.179 1.814 . . . . 100.0 109.336 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -68.8 130.36 42.6 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.157 -1.053 . . . . 100.0 108.157 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.2 tp -118.01 -53.16 2.39 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 107.397 -1.334 . . . . 100.0 107.397 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -128.36 152.53 48.07 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.65 -1.241 . . . . 100.0 107.65 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 91.1 mmm -62.76 -43.22 99.38 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 124.643 1.177 . . . . 100.0 111.679 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -88.22 130.25 35.13 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 105.975 -1.861 . . . . 100.0 105.975 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -95.49 110.16 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-O 122.484 1.135 . . . . 100.0 108.143 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.2 t -129.73 136.19 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 100.311 -3.959 . . . . 100.0 100.311 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -63.84 -41.88 97.73 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.502 -0.925 . . . . 100.0 108.502 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG2' HE21 ' A' ' 30' ' ' GLN . 53.9 mt-10 -87.64 93.11 9.34 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 108.621 -0.881 . . . . 100.0 108.621 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.3 m -124.52 131.62 53.48 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 104.289 -2.485 . . . . 100.0 104.289 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 . . . . . 0 C--O 1.261 1.67 0 N-CA-C 105.313 -2.106 . . . . 100.0 105.313 179.567 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.497 0 N-CA-C 108.636 -1.786 . . . . 100.0 108.636 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 54.01 51.83 13.95 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.175 1.39 . . . . 100.0 111.464 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.1 m 73.79 -54.36 0.68 Allowed 'General case' 0 C--N 1.364 1.225 0 C-N-CA 127.85 2.46 . . . . 100.0 110.219 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.11 167.5 20.11 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 124.909 1.284 . . . . 100.0 109.109 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.6 75.24 10.31 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 106.836 -1.542 . . . . 100.0 106.836 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.89 39.81 26.69 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 127.518 2.327 . . . . 100.0 114.076 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 75.0 p 53.34 36.63 23.38 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 127.412 2.285 . . . . 100.0 115.972 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -66.31 -39.04 89.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.997 1.319 . . . . 100.0 112.032 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.81 -44.51 90.81 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 114.312 1.227 . . . . 100.0 114.312 -175.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.03 37.54 29.07 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 115.94 1.83 . . . . 100.0 115.94 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.63 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.2 pt20 -109.48 20.46 18.17 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 121.061 -1.024 . . . . 100.0 111.953 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.07 57.3 5.18 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.462 1.505 . . . . 100.0 114.249 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.873 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.8 124.98 61.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 122.114 0.959 . . . . 100.0 110.875 179.157 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.94 169.29 18.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.442 -1.318 . . . . 100.0 107.442 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.66 -39.22 90.59 Favored 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 125.681 1.593 . . . . 100.0 109.656 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.06 -74.45 0.51 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 107.951 -1.129 . . . . 100.0 107.951 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.72 -39.53 0.07 Allowed 'General case' 0 C--N 1.367 1.34 0 N-CA-C 115.799 1.777 . . . . 100.0 115.799 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.35 -175.18 4.56 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 116.296 1.961 . . . . 100.0 116.296 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.6 p -71.63 163.18 28.24 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 118.69 -2.506 . . . . 100.0 111.186 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.54 -23.71 67.13 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 113.146 0.795 . . . . 100.0 113.146 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.46 -42.08 98.62 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 107.825 -1.176 . . . . 100.0 107.825 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.16 9.89 37.95 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 124.721 1.208 . . . . 100.0 112.208 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.0 t -59.88 -43.07 93.94 Favored Pre-proline 0 C--N 1.363 1.161 0 CA-C-O 115.792 -2.051 . . . . 100.0 111.867 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.16 -37.74 81.49 Favored 'Trans proline' 0 C--N 1.381 2.25 0 CA-C-N 122.759 2.021 . . . . 100.0 111.583 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.89 -45.13 90.75 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.293 1.037 . . . . 100.0 109.795 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.15 -41.98 98.81 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 124.724 1.21 . . . . 100.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.405 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.67 -44.7 92.99 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.772 0.829 . . . . 100.0 110.157 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.9 95.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 123.821 0.848 . . . . 100.0 112.243 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.7 -50.37 73.77 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 114.436 1.273 . . . . 100.0 114.436 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -102.82 -22.74 13.84 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 113.813 1.042 . . . . 100.0 113.813 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.305 91.8 m-85 74.48 -55.57 0.65 Allowed 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 116.321 1.971 . . . . 100.0 116.321 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -65.05 -62.79 1.34 Allowed 'General case' 0 C--N 1.363 1.194 0 CA-C-N 120.091 1.314 . . . . 100.0 110.445 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.405 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 68.1 m-80 48.24 44.75 19.9 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 115.009 1.485 . . . . 100.0 115.009 176.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.693 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.83 20.69 77.74 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 121.815 -0.553 . . . . 100.0 112.277 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 55.23 41.53 31.32 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 127.151 2.18 . . . . 100.0 113.077 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -61.26 -45.17 95.63 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.998 2.119 . . . . 100.0 107.882 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.0 mt -97.01 116.21 28.82 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 104.763 -2.31 . . . . 100.0 104.763 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.78 -38.07 89.75 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 125.731 1.613 . . . . 100.0 112.653 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.86 -23.11 64.9 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 116.406 2.002 . . . . 100.0 116.406 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -62.52 -41.0 98.56 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.889 0.768 . . . . 100.0 111.576 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.16 136.8 55.64 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.378 0.609 . . . . 100.0 110.748 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.16 -41.87 98.71 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 124.699 1.199 . . . . 100.0 112.792 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -89.11 3.11 52.93 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 123.052 0.541 . . . . 100.0 112.037 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.441 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 89.8 t90 73.52 -44.41 0.58 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.386 2.274 . . . . 100.0 112.569 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -90.22 107.06 17.11 Favored Pre-proline 0 C--N 1.357 0.926 0 N-CA-C 105.298 -2.112 . . . . 100.0 105.298 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 27.3 Cg_endo -81.47 171.32 13.67 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 124.62 3.547 . . . . 100.0 114.314 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -62.01 -46.41 89.32 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.789 1.236 . . . . 100.0 108.444 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.41 106.87 15.48 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 107.915 -1.143 . . . . 100.0 107.915 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.46 -39.76 74.09 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 123.665 0.786 . . . . 100.0 111.579 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.805 ' C ' ' O3P' ' A' ' 51' ' ' TPO . 64.3 mt -62.81 142.83 58.05 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 125.598 1.559 . . . . 100.0 114.908 -177.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TPO . . . . . 1.354 ' N ' ' O3P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.693 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 16.4 t70 -70.1 134.95 48.72 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.6 -0.889 . . . . 100.0 108.6 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.73 -100.87 2.67 Favored Glycine 0 CA--C 1.487 -1.686 0 N-CA-C 104.859 -3.297 . . . . 100.0 104.859 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -116.23 100.99 8.31 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 106.708 -1.59 . . . . 100.0 106.708 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 52.25 40.12 28.39 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.045 2.138 . . . . 100.0 112.894 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -66.44 -40.76 89.68 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 123.245 0.618 . . . . 100.0 111.224 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.4 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 9.8 p -72.82 150.05 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 C-N-CA 123.994 0.918 . . . . 100.0 109.892 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 54.42 44.66 28.53 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 126.784 2.033 . . . . 100.0 110.824 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.414 ' N ' ' HD2' ' A' ' 60' ' ' PRO . 31.5 t70 -61.7 -46.07 93.23 Favored Pre-proline 0 C--N 1.364 1.204 0 CA-C-O 116.644 -1.646 . . . . 100.0 108.981 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 59' ' ' ASP . 74.3 Cg_endo -70.01 151.38 67.61 Favored 'Trans proline' 0 C--N 1.386 2.53 0 CA-C-N 122.175 1.813 . . . . 100.0 107.859 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.99 131.08 45.65 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 121.53 0.681 . . . . 100.0 111.443 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 tp -116.99 -54.95 2.39 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 105.744 -1.947 . . . . 100.0 105.744 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -131.7 152.26 51.02 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 107.004 -1.48 . . . . 100.0 107.004 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 70.4 mtm -63.25 -42.34 99.18 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.658 1.183 . . . . 100.0 111.03 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.19 128.97 34.95 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 106.112 -1.81 . . . . 100.0 106.112 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.31 106.99 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 107.658 -1.238 . . . . 100.0 107.658 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -128.77 135.89 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 N-CA-C 100.383 -3.932 . . . . 100.0 100.383 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -64.86 -41.91 95.29 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.771 -0.581 . . . . 100.0 109.671 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -85.9 88.05 7.51 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 107.607 -1.257 . . . . 100.0 107.607 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.7 m -121.17 130.93 53.95 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 104.408 -2.441 . . . . 100.0 104.408 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 . . . . . 0 C--O 1.261 1.698 0 N-CA-C 109.183 -0.673 . . . . 100.0 109.183 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.502 0 N-CA-C 108.635 -1.786 . . . . 100.0 108.635 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 53.95 51.85 13.98 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.217 1.407 . . . . 100.0 111.5 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 m 73.89 -54.38 0.68 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 127.766 2.426 . . . . 100.0 110.231 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.53 20.12 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 124.882 1.273 . . . . 100.0 109.108 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.56 75.2 10.3 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 106.843 -1.54 . . . . 100.0 106.843 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.87 39.87 26.74 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 127.613 2.365 . . . . 100.0 114.056 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 73.5 p 53.33 36.61 23.3 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 127.456 2.302 . . . . 100.0 116.001 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -66.22 -39.1 89.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.027 1.331 . . . . 100.0 112.035 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.87 -44.44 91.07 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.309 1.226 . . . . 100.0 114.309 -175.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 55.03 37.44 28.92 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 115.949 1.833 . . . . 100.0 115.949 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.63 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.44 20.55 18.09 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.995 -1.066 . . . . 100.0 111.925 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.03 57.29 5.2 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.48 1.512 . . . . 100.0 114.266 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.869 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.83 124.93 61.27 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-O 122.127 0.965 . . . . 100.0 110.928 179.16 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.87 169.28 18.4 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.016 1.327 . . . . 100.0 107.494 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.17 90.52 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 125.668 1.587 . . . . 100.0 109.694 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 45.0 t-80 -92.09 -74.39 0.51 Allowed 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.958 -1.127 . . . . 100.0 107.958 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.74 -39.48 0.07 Allowed 'General case' 0 C--N 1.367 1.348 0 N-CA-C 115.836 1.791 . . . . 100.0 115.836 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.31 -175.25 4.58 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 116.338 1.977 . . . . 100.0 116.338 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.3 p -71.58 163.21 28.17 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 118.678 -2.513 . . . . 100.0 111.236 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.48 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.2 m-85 -62.6 -23.74 67.2 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 113.037 0.754 . . . . 100.0 113.037 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.45 -42.02 98.63 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 107.81 -1.181 . . . . 100.0 107.81 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.24 9.86 38.2 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 124.682 1.193 . . . . 100.0 112.158 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.48 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.85 -43.06 94.0 Favored Pre-proline 0 C--N 1.362 1.129 0 CA-C-O 115.784 -2.055 . . . . 100.0 111.928 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.21 -37.68 81.53 Favored 'Trans proline' 0 C--N 1.38 2.207 0 CA-C-N 122.76 2.021 . . . . 100.0 111.612 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.86 -45.17 90.66 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.287 1.035 . . . . 100.0 109.776 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.14 -42.01 98.83 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 124.749 1.219 . . . . 100.0 110.8 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.401 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.65 -44.7 93.07 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 123.748 0.819 . . . . 100.0 110.19 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.88 95.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 123.785 0.834 . . . . 100.0 112.261 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.73 -50.52 73.13 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 114.382 1.253 . . . . 100.0 114.382 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -102.26 -25.48 13.66 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 113.59 0.959 . . . . 100.0 113.59 -177.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.311 90.8 m-85 74.58 -53.33 0.68 Allowed 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 115.45 1.648 . . . . 100.0 115.45 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.44 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 99.6 mtt180 -63.92 -62.36 1.69 Allowed 'General case' 0 C--N 1.363 1.167 0 CA-C-N 119.984 1.265 . . . . 100.0 110.17 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 59.4 m-80 48.65 42.98 20.24 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.484 1.513 . . . . 100.0 114.636 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.643 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.08 21.63 78.85 Favored Glycine 0 C--N 1.355 1.638 0 O-C-N 121.88 -0.513 . . . . 100.0 111.852 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 56.22 40.31 30.03 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 127.22 2.208 . . . . 100.0 114.265 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -62.77 -43.01 99.92 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 125.83 1.652 . . . . 100.0 107.51 177.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 tp -95.14 113.14 24.8 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 105.6 -2.0 . . . . 100.0 105.6 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.39 -36.96 85.83 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 126.469 1.908 . . . . 100.0 113.016 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.98 -32.11 65.75 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 127.541 2.336 . . . . 100.0 114.209 -176.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 66.5 t80 -59.61 -43.57 93.73 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 113.401 0.889 . . . . 100.0 113.401 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.16 136.03 55.37 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 121.691 0.758 . . . . 100.0 110.558 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.05 -42.26 98.99 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 125.056 1.342 . . . . 100.0 112.286 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.79 0.67 54.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 123.579 0.752 . . . . 100.0 111.584 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . 0.256 89.7 t90 74.24 -47.11 0.63 Allowed 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.334 2.254 . . . . 100.0 112.912 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -86.79 108.62 19.11 Favored Pre-proline 0 N--CA 1.438 -1.048 0 N-CA-C 105.792 -1.929 . . . . 100.0 105.792 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.59 164.23 21.09 Favored 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.877 3.052 . . . . 100.0 113.205 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -66.22 -41.52 89.99 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 108.299 -1.0 . . . . 100.0 108.299 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -109.63 104.76 13.82 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 106.635 -1.617 . . . . 100.0 106.635 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.42 -41.33 73.06 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 124.461 1.104 . . . . 100.0 112.968 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.2 mt -64.85 146.11 55.34 Favored 'General case' 0 CA--C 1.489 -1.4 0 N-CA-C 115.502 1.668 . . . . 100.0 115.502 -177.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TPO . . . . . 0.92 HG21 ' O1P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.643 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 8.7 t70 -72.64 135.55 45.49 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 107.948 -1.13 . . . . 100.0 107.948 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.44 -101.4 2.7 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 104.161 -3.576 . . . . 100.0 104.161 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -115.47 102.92 10.26 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 106.228 -1.768 . . . . 100.0 106.228 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 52.08 41.19 29.79 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 126.645 1.978 . . . . 100.0 113.299 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -65.57 -42.06 92.19 Favored 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 122.467 0.307 . . . . 100.0 111.779 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -73.99 150.71 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-O 121.295 0.569 . . . . 100.0 109.766 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 54.59 42.56 31.21 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.795 2.038 . . . . 100.0 112.195 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.6 -44.92 88.3 Favored Pre-proline 0 C--N 1.36 1.049 0 CA-C-O 117.057 -1.449 . . . . 100.0 109.986 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -71.89 157.84 54.08 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.206 1.937 . . . . 100.0 109.026 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.21 130.3 43.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.296 0.569 . . . . 100.0 109.828 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.4 tp -117.91 -55.69 2.24 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 106.329 -1.73 . . . . 100.0 106.329 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -130.92 153.86 48.72 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 107.409 -1.33 . . . . 100.0 107.409 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.3 mtp -62.88 -41.98 99.61 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 124.113 0.965 . . . . 100.0 112.148 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -83.32 129.96 35.03 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 105.769 -1.937 . . . . 100.0 105.769 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.2 t -102.62 109.18 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 CA-C-O 122.458 1.123 . . . . 100.0 108.452 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.8 t -133.27 139.85 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 N-CA-C 101.954 -3.35 . . . . 100.0 101.954 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.62 -42.06 95.75 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 109.107 -0.701 . . . . 100.0 109.107 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -87.25 84.81 7.18 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 108.901 -0.778 . . . . 100.0 108.901 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.9 m -124.58 131.25 53.48 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 105.881 -1.896 . . . . 100.0 105.881 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.261 1.678 0 N-CA-C 106.373 -1.714 . . . . 100.0 106.373 179.753 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.471 0 N-CA-C 108.681 -1.767 . . . . 100.0 108.681 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 53.97 51.87 13.92 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.215 1.406 . . . . 100.0 111.463 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 m 73.8 -54.32 0.68 Allowed 'General case' 0 C--N 1.365 1.279 0 C-N-CA 127.783 2.433 . . . . 100.0 110.26 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.15 167.53 20.09 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 124.947 1.299 . . . . 100.0 109.065 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.62 75.19 10.32 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.873 -1.529 . . . . 100.0 106.873 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.96 39.78 26.83 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.56 2.344 . . . . 100.0 114.045 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 73.5 p 53.45 36.55 23.46 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 127.463 2.305 . . . . 100.0 115.932 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -39.1 89.31 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.007 1.323 . . . . 100.0 112.012 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.71 -44.59 90.43 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 114.304 1.224 . . . . 100.0 114.304 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 55.06 37.46 28.95 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 115.91 1.818 . . . . 100.0 115.91 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.633 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.44 20.56 18.07 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 121.049 -1.032 . . . . 100.0 111.975 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.01 57.33 5.19 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.468 1.507 . . . . 100.0 114.301 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.865 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.84 124.95 61.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 122.123 0.963 . . . . 100.0 110.918 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.87 169.31 18.37 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.017 1.327 . . . . 100.0 107.504 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.464 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.69 -39.18 90.54 Favored 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 125.64 1.576 . . . . 100.0 109.723 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.05 -74.47 0.51 Allowed 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 107.947 -1.131 . . . . 100.0 107.947 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.67 -39.45 0.08 Allowed 'General case' 0 C--N 1.368 1.376 0 N-CA-C 115.769 1.766 . . . . 100.0 115.769 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.4 -175.21 4.6 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 116.276 1.954 . . . . 100.0 116.276 -175.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.3 p -71.7 163.24 28.14 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 118.702 -2.499 . . . . 100.0 111.17 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.55 -23.74 67.15 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 113.085 0.772 . . . . 100.0 113.085 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.47 -42.01 98.58 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 107.847 -1.168 . . . . 100.0 107.847 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.22 9.85 38.2 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 124.705 1.202 . . . . 100.0 112.197 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.83 -43.05 94.04 Favored Pre-proline 0 C--N 1.362 1.125 0 CA-C-O 115.803 -2.046 . . . . 100.0 111.902 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.17 -37.79 81.07 Favored 'Trans proline' 0 C--N 1.381 2.259 0 CA-C-N 122.788 2.031 . . . . 100.0 111.588 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 -45.12 90.94 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 124.319 1.047 . . . . 100.0 109.8 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.4 m -62.14 -42.02 98.83 Favored 'General case' 0 CA--C 1.5 -0.961 0 C-N-CA 124.769 1.228 . . . . 100.0 110.814 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.451 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.69 -44.6 93.21 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.718 0.807 . . . . 100.0 110.215 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.82 94.97 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 123.734 0.814 . . . . 100.0 112.25 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.77 -51.89 67.42 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 114.396 1.258 . . . . 100.0 114.396 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -99.64 -25.58 14.36 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 114.022 1.119 . . . . 100.0 114.022 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 74.12 -52.98 0.69 Allowed 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 126.325 1.85 . . . . 100.0 113.659 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.5 ttm105 -62.46 -65.38 0.7 Allowed 'General case' 0 C--N 1.363 1.173 0 CA-C-N 119.321 0.964 . . . . 100.0 109.907 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 72.9 m-80 47.99 44.23 18.52 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 116.063 1.875 . . . . 100.0 116.063 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.72 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.51 21.85 78.19 Favored Glycine 0 C--N 1.354 1.544 0 N-CA-C 112.035 -0.426 . . . . 100.0 112.035 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 76.2 m-85 56.81 41.24 28.35 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 127.34 2.256 . . . . 100.0 113.07 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.15 -45.75 93.36 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.673 1.989 . . . . 100.0 108.149 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.2 mt -94.07 114.7 26.91 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 104.697 -2.334 . . . . 100.0 104.697 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.68 -37.01 86.12 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 126.164 1.786 . . . . 100.0 112.453 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -60.22 -24.67 65.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 126.294 1.838 . . . . 100.0 115.092 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -60.44 -43.71 96.55 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.522 1.529 . . . . 100.0 111.916 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.42 137.19 55.72 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.864 0.84 . . . . 100.0 111.517 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.86 -42.25 99.68 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.971 1.708 . . . . 100.0 112.068 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -86.89 -1.76 58.07 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.881 0.872 . . . . 100.0 111.308 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.422 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 89.8 t90 75.52 -44.77 0.53 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.25 3.02 . . . . 100.0 109.954 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -87.4 107.45 15.08 Favored Pre-proline 0 N--CA 1.439 -1.013 0 N-CA-C 106.576 -1.639 . . . . 100.0 106.576 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 30.3 Cg_endo -81.99 165.03 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.436 0 C-N-CA 123.971 3.114 . . . . 100.0 112.628 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -65.48 -42.24 92.43 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 108.698 -0.853 . . . . 100.0 108.698 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 12.1 tp10 -107.42 102.16 11.46 Favored 'General case' 0 C--N 1.362 1.138 0 N-CA-C 107.225 -1.398 . . . . 100.0 107.225 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.29 -40.76 74.09 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 115.245 -0.889 . . . . 100.0 113.169 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 CA--C 1.489 -1.377 0 N-CA-C 114.994 1.479 . . . . 100.0 114.994 -177.309 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.72 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.2 t70 . . . . . 0 N--CA 1.438 -1.029 0 N-CA-C 108.758 -0.83 . . . . 100.0 108.758 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.27 -100.58 2.66 Favored Glycine 0 CA--C 1.49 -1.479 0 N-CA-C 104.891 -3.284 . . . . 100.0 104.891 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -114.96 102.27 9.8 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 107.512 -1.292 . . . . 100.0 107.512 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 51.59 40.76 27.83 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.023 2.129 . . . . 100.0 112.581 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -65.34 -42.44 92.89 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 122.647 0.379 . . . . 100.0 111.893 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.4 p -73.02 147.24 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-O 121.623 0.725 . . . . 100.0 110.231 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CD1' HD11 ' A' ' 62' ' ' LEU . 38.4 m-85 53.34 45.94 27.39 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 126.992 2.117 . . . . 100.0 111.653 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.55 -44.62 92.52 Favored Pre-proline 0 N--CA 1.44 -0.961 0 CA-C-O 116.979 -1.486 . . . . 100.0 109.807 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -69.32 150.0 70.36 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 121.921 1.747 . . . . 100.0 108.305 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.82 130.91 44.69 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 123.565 0.54 . . . . 100.0 111.062 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 58' ' ' PHE . 84.1 mt -116.39 -54.17 2.48 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 107.374 -1.343 . . . . 100.0 107.374 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -125.21 149.5 47.9 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 124.126 0.971 . . . . 100.0 108.755 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.0 mtm -63.64 -41.93 98.2 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.92 1.288 . . . . 100.0 110.379 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.76 128.47 34.81 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 105.483 -2.043 . . . . 100.0 105.483 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -96.64 110.68 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-O 122.582 1.182 . . . . 100.0 107.934 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.1 t -128.04 132.76 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 1 N-CA-C 99.856 -4.127 . . . . 100.0 99.856 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.38 -42.35 96.19 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 109.113 -0.699 . . . . 100.0 109.113 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -95.16 98.53 10.7 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 106.913 -1.514 . . . . 100.0 106.913 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -132.62 140.31 48.15 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 105.038 -2.208 . . . . 100.0 105.038 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 . . . . . 0 C--O 1.26 1.654 0 N-CA-C 105.001 -2.222 . . . . 100.0 105.001 178.912 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.476 0 N-CA-C 108.647 -1.781 . . . . 100.0 108.647 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 54.01 51.82 13.97 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 125.151 1.38 . . . . 100.0 111.461 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.38 0.68 Allowed 'General case' 0 C--N 1.364 1.234 0 C-N-CA 127.797 2.439 . . . . 100.0 110.248 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.47 20.24 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 124.924 1.29 . . . . 100.0 109.091 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.59 75.3 10.3 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 106.852 -1.536 . . . . 100.0 106.852 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.8 39.9 26.57 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.558 2.343 . . . . 100.0 114.07 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 74.2 p 53.33 36.61 23.3 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.445 2.298 . . . . 100.0 115.952 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -66.23 -39.1 89.32 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.015 1.326 . . . . 100.0 112.05 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.81 -44.52 90.82 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 114.297 1.221 . . . . 100.0 114.297 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.03 37.48 28.98 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 115.976 1.843 . . . . 100.0 115.976 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.631 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.49 20.57 18.05 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.067 -1.021 . . . . 100.0 111.942 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.94 57.38 5.19 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.515 1.526 . . . . 100.0 114.257 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.875 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.86 124.98 61.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 CA-C-O 122.123 0.963 . . . . 100.0 110.881 179.148 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.4 t -163.92 169.31 18.29 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.436 -1.32 . . . . 100.0 107.436 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.72 -39.18 90.59 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 125.667 1.587 . . . . 100.0 109.661 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.1 t60 -92.05 -74.42 0.51 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 107.966 -1.124 . . . . 100.0 107.966 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.72 -39.48 0.07 Allowed 'General case' 0 C--N 1.368 1.372 0 N-CA-C 115.774 1.768 . . . . 100.0 115.774 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.38 -175.18 4.57 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 116.299 1.963 . . . . 100.0 116.299 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.2 p -71.68 163.19 28.23 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 118.726 -2.484 . . . . 100.0 111.223 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.2 m-85 -62.54 -23.73 67.13 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 113.096 0.776 . . . . 100.0 113.096 178.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.49 -42.01 98.55 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 107.801 -1.185 . . . . 100.0 107.801 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.23 9.84 38.24 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 124.695 1.198 . . . . 100.0 112.194 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.482 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.0 t -59.92 -43.01 93.64 Favored Pre-proline 0 C--N 1.363 1.177 0 CA-C-O 115.749 -2.072 . . . . 100.0 111.852 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 -37.7 81.46 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-N 122.815 2.041 . . . . 100.0 111.623 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.86 -45.19 90.58 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 124.324 1.05 . . . . 100.0 109.778 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.4 m -62.09 -42.02 98.78 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 124.751 1.221 . . . . 100.0 110.827 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.425 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.62 -44.73 93.08 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 123.739 0.816 . . . . 100.0 110.227 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.98 95.5 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 123.845 0.858 . . . . 100.0 112.217 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.72 -51.5 69.11 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 114.423 1.268 . . . . 100.0 114.423 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.545 HE21 ' HG2' ' A' ' 69' ' ' GLU . 42.7 tt0 -98.55 -24.52 15.09 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 113.284 0.846 . . . . 100.0 113.284 -177.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 75.58 -54.23 0.63 Allowed 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 126.46 1.904 . . . . 100.0 113.739 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -63.29 -64.7 0.83 Allowed 'General case' 0 C--N 1.365 1.245 0 CA-C-N 119.535 1.061 . . . . 100.0 110.45 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 73.2 m-80 46.11 46.63 12.96 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 116.045 1.869 . . . . 100.0 116.045 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.733 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.09 22.19 76.93 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 112.414 -0.274 . . . . 100.0 112.414 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 56.65 39.44 29.77 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 126.863 2.065 . . . . 100.0 113.49 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -62.89 -42.99 99.97 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 124.821 1.248 . . . . 100.0 107.738 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.8 mt -92.15 114.21 26.69 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 105.22 -2.141 . . . . 100.0 105.22 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.98 -36.79 85.52 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.111 1.364 . . . . 100.0 113.399 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.39 -29.25 63.92 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 126.468 1.907 . . . . 100.0 114.592 -177.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.86 -42.12 92.98 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.274 1.03 . . . . 100.0 112.086 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.38 136.05 47.57 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.804 0.812 . . . . 100.0 111.343 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.86 -39.68 94.77 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.073 1.349 . . . . 100.0 112.298 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.31 0.22 49.96 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 123.557 0.743 . . . . 100.0 112.248 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 75.76 -49.05 0.61 Allowed 'General case' 0 C--N 1.368 1.392 0 C-N-CA 126.423 1.889 . . . . 100.0 111.638 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -96.55 111.58 57.49 Favored Pre-proline 0 N--CA 1.435 -1.216 0 N-CA-C 106.672 -1.603 . . . . 100.0 106.672 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -81.28 170.74 14.52 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 125.002 3.801 . . . . 100.0 113.063 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -62.1 -44.84 95.78 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.885 -0.783 . . . . 100.0 108.885 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -110.03 104.96 13.92 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 108.194 -1.039 . . . . 100.0 108.194 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.7 tp -70.34 -40.8 73.91 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 123.856 0.862 . . . . 100.0 111.534 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 CA--C 1.49 -1.347 0 N-CA-C 116.342 1.979 . . . . 100.0 116.342 -177.569 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.733 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 16.4 t70 . . . . . 0 N--CA 1.44 -0.956 0 N-CA-C 108.097 -1.075 . . . . 100.0 108.097 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.77 -100.61 2.66 Favored Glycine 0 CA--C 1.487 -1.684 0 N-CA-C 104.641 -3.384 . . . . 100.0 104.641 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -118.31 101.16 7.98 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.671 -1.603 . . . . 100.0 106.671 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 52.82 40.62 30.99 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.779 2.031 . . . . 100.0 113.214 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -66.04 -40.77 91.27 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 116.175 -0.466 . . . . 100.0 111.221 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.42 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 8.2 p -71.8 144.89 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 C-N-CA 123.518 0.727 . . . . 100.0 110.278 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.338 94.1 m-85 52.6 48.06 23.35 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 126.012 1.725 . . . . 100.0 113.722 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.76 -45.94 92.92 Favored Pre-proline 0 C--N 1.357 0.925 0 CA-C-O 116.87 -1.538 . . . . 100.0 109.024 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.23 158.23 52.24 Favored 'Trans proline' 0 C--N 1.387 2.586 0 C-N-CA 122.099 1.866 . . . . 100.0 109.158 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.06 131.67 49.37 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 121.709 0.766 . . . . 100.0 110.167 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.4 tp -120.31 -58.78 1.83 Allowed 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 106.01 -1.848 . . . . 100.0 106.01 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -130.52 150.72 51.6 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 107.883 -1.154 . . . . 100.0 107.883 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.6 mmm -64.35 -40.87 96.72 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 124.231 1.012 . . . . 100.0 110.801 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -85.69 129.08 34.92 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 105.207 -2.146 . . . . 100.0 105.207 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -99.36 108.51 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 CA-C-O 122.424 1.107 . . . . 100.0 108.027 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.6 t -130.68 134.8 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 100.577 -3.86 . . . . 100.0 100.577 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -64.04 -42.35 97.09 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 109.017 -0.735 . . . . 100.0 109.017 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.545 ' HG2' HE21 ' A' ' 30' ' ' GLN . 73.3 mt-10 -86.7 81.16 8.31 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.549 0.69 . . . . 100.0 109.459 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.4 m -129.78 131.05 46.09 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 105.914 -1.884 . . . . 100.0 105.914 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--O 1.258 1.548 0 N-CA-C 105.489 -2.041 . . . . 100.0 105.489 178.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.523 0 N-CA-C 108.649 -1.78 . . . . 100.0 108.649 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 53.91 51.92 13.89 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.188 1.395 . . . . 100.0 111.46 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.3 m 73.73 -54.35 0.68 Allowed 'General case' 0 C--N 1.366 1.285 0 C-N-CA 127.796 2.438 . . . . 100.0 110.255 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 167.51 20.1 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.945 1.298 . . . . 100.0 109.111 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.58 75.25 10.3 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.89 -1.522 . . . . 100.0 106.89 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.88 39.77 26.58 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 127.567 2.347 . . . . 100.0 114.089 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 74.2 p 53.42 36.61 23.52 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 127.469 2.308 . . . . 100.0 115.916 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -66.19 -39.14 89.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.061 1.344 . . . . 100.0 112.047 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.87 -44.4 91.06 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 114.304 1.224 . . . . 100.0 114.304 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 54.92 37.56 28.95 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 115.942 1.83 . . . . 100.0 115.942 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.626 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.47 20.53 18.1 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 121.049 -1.032 . . . . 100.0 111.916 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.03 57.32 5.18 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.5 1.52 . . . . 100.0 114.279 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.863 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.82 124.92 61.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 122.087 0.946 . . . . 100.0 110.891 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.9 169.3 18.33 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.474 -1.306 . . . . 100.0 107.474 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.66 -39.2 90.51 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.647 1.579 . . . . 100.0 109.719 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.1 t60 -92.04 -74.46 0.51 Allowed 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 107.955 -1.128 . . . . 100.0 107.955 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.65 -39.46 0.08 Allowed 'General case' 0 C--N 1.368 1.381 0 N-CA-C 115.85 1.796 . . . . 100.0 115.85 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.42 -175.21 4.6 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 116.272 1.953 . . . . 100.0 116.272 -175.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.3 p -71.62 163.19 28.22 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 118.658 -2.526 . . . . 100.0 111.242 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.5 -23.74 67.11 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 113.117 0.784 . . . . 100.0 113.117 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.48 -42.05 98.58 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 107.83 -1.174 . . . . 100.0 107.83 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.21 9.84 38.23 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 124.704 1.202 . . . . 100.0 112.181 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.2 t -59.83 -43.05 94.07 Favored Pre-proline 0 C--N 1.362 1.151 0 CA-C-O 115.816 -2.04 . . . . 100.0 111.916 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.21 -37.69 81.4 Favored 'Trans proline' 0 C--N 1.381 2.239 0 CA-C-N 122.77 2.025 . . . . 100.0 111.604 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.87 -45.18 90.6 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 124.333 1.053 . . . . 100.0 109.755 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.14 -42.05 98.87 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 124.757 1.223 . . . . 100.0 110.806 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.425 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.56 -44.71 93.37 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 123.734 0.814 . . . . 100.0 110.219 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.96 95.39 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 123.841 0.856 . . . . 100.0 112.234 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.65 -51.53 68.98 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 114.433 1.271 . . . . 100.0 114.433 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.49 HE21 ' HG2' ' A' ' 69' ' ' GLU . 40.8 tt0 -100.56 -23.42 14.69 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 119.068 -1.053 . . . . 100.0 113.524 -177.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 74.56 -54.79 0.67 Allowed 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 125.506 1.522 . . . . 100.0 114.317 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.19 -64.57 0.85 Allowed 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.211 0.914 . . . . 100.0 109.742 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 74.3 m-80 47.91 45.03 18.85 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 115.894 1.813 . . . . 100.0 115.894 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.706 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.91 20.14 78.13 Favored Glycine 0 C--N 1.353 1.507 0 N-CA-C 111.638 -0.585 . . . . 100.0 111.638 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 55.43 42.6 29.82 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 127.008 2.123 . . . . 100.0 112.463 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -61.11 -45.87 92.91 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 128.691 2.796 . . . . 100.0 107.08 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -98.07 116.8 31.03 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 105.139 -2.171 . . . . 100.0 105.139 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.74 -36.26 83.72 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.635 1.574 . . . . 100.0 112.663 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -58.51 -27.26 64.32 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 125.934 1.694 . . . . 100.0 114.894 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.59 -42.41 96.69 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 123.403 0.681 . . . . 100.0 112.538 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -72.92 134.73 44.89 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.483 0.659 . . . . 100.0 110.678 -177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.18 -39.42 94.59 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 124.543 1.137 . . . . 100.0 112.413 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.68 -2.94 48.81 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.05 1.34 . . . . 100.0 111.783 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 75.39 -49.42 0.63 Allowed 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.316 2.647 . . . . 100.0 110.681 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -92.85 112.23 54.91 Favored Pre-proline 0 N--CA 1.437 -1.095 0 N-CA-C 107.269 -1.382 . . . . 100.0 107.269 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -82.72 172.15 11.41 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 124.972 3.781 . . . . 100.0 112.36 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -62.91 -44.39 96.21 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 123.509 0.724 . . . . 100.0 109.311 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -109.14 104.31 13.46 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 107.628 -1.249 . . . . 100.0 107.628 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.57 -40.58 73.22 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.269 -0.878 . . . . 100.0 111.424 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 CA--C 1.49 -1.358 0 N-CA-C 115.717 1.747 . . . . 100.0 115.717 -177.532 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.706 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.4 t70 . . . . . 0 N--CA 1.441 -0.883 0 N-CA-C 108.725 -0.842 . . . . 100.0 108.725 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.94 -98.85 2.56 Favored Glycine 0 CA--C 1.49 -1.531 0 N-CA-C 105.065 -3.214 . . . . 100.0 105.065 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -118.48 102.8 9.19 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 106.916 -1.513 . . . . 100.0 106.916 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 52.93 38.37 26.85 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 126.972 2.109 . . . . 100.0 112.554 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -65.63 -42.02 91.98 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 112.491 0.552 . . . . 100.0 112.491 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.404 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 6.6 p -72.82 151.77 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.187 0 CA-C-O 121.38 0.61 . . . . 100.0 110.686 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 53.77 47.23 24.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 127.407 2.283 . . . . 100.0 110.335 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.97 -46.53 96.71 Favored Pre-proline 0 C--N 1.36 1.029 0 CA-C-O 116.523 -1.703 . . . . 100.0 109.414 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.92 146.98 54.39 Favored 'Trans proline' 0 C--N 1.383 2.356 0 CA-C-N 122.315 1.862 . . . . 100.0 107.843 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -71.42 131.87 43.97 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 112.618 0.599 . . . . 100.0 112.618 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.8 mt -115.32 -49.72 2.76 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 107.782 -1.192 . . . . 100.0 107.782 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -120.87 145.35 47.73 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.326 -0.99 . . . . 100.0 108.326 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.9 mtp -64.18 -41.99 96.88 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.384 1.074 . . . . 100.0 110.462 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -83.51 131.28 35.01 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 106.746 -1.576 . . . . 100.0 106.746 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.33 109.85 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 108.235 -1.024 . . . . 100.0 108.235 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.7 t -130.2 133.37 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 1 N-CA-C 100.045 -4.057 . . . . 100.0 100.045 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -64.72 -40.86 96.05 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 108.53 -0.915 . . . . 100.0 108.53 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.49 ' HG2' HE21 ' A' ' 30' ' ' GLN . 83.1 mt-10 -85.19 90.79 7.97 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.338 -1.356 . . . . 100.0 107.338 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.5 m -113.09 127.89 56.34 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 104.338 -2.467 . . . . 100.0 104.338 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.445 HE22 ' HB3' ' A' ' 69' ' ' GLU . 23.2 mp0 . . . . . 0 C--O 1.261 1.697 0 N-CA-C 107.354 -1.35 . . . . 100.0 107.354 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.497 0 N-CA-C 108.632 -1.787 . . . . 100.0 108.632 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 54.02 51.84 13.92 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 125.216 1.406 . . . . 100.0 111.444 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.35 0.68 Allowed 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.818 2.447 . . . . 100.0 110.272 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 167.5 20.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 124.935 1.294 . . . . 100.0 109.095 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.54 75.18 10.3 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.899 -1.519 . . . . 100.0 106.899 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.97 39.79 26.88 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 127.539 2.336 . . . . 100.0 114.032 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 74.3 p 53.31 36.63 23.3 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.491 2.316 . . . . 100.0 116.001 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.24 -39.1 89.3 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.038 1.335 . . . . 100.0 111.998 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.79 -44.55 90.77 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.285 1.217 . . . . 100.0 114.285 -175.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 54.99 37.52 29.04 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 115.964 1.838 . . . . 100.0 115.964 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.629 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.47 20.54 18.08 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 121.081 -1.012 . . . . 100.0 111.963 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.05 57.27 5.21 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.509 1.524 . . . . 100.0 114.275 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.864 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.77 124.9 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-O 122.055 0.931 . . . . 100.0 110.937 179.201 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.91 169.26 18.37 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.467 -1.308 . . . . 100.0 107.467 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.65 -39.23 90.63 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 125.641 1.576 . . . . 100.0 109.642 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 68.9 t60 -91.99 -74.45 0.51 Allowed 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 107.973 -1.121 . . . . 100.0 107.973 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.7 -39.51 0.07 Allowed 'General case' 0 C--N 1.368 1.383 0 N-CA-C 115.797 1.777 . . . . 100.0 115.797 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.36 -175.18 4.57 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 116.323 1.971 . . . . 100.0 116.323 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 p -71.69 163.18 28.26 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 118.681 -2.512 . . . . 100.0 111.201 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.487 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.5 m-85 -62.54 -23.63 67.08 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 113.142 0.793 . . . . 100.0 113.142 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.54 -42.02 98.44 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 107.814 -1.18 . . . . 100.0 107.814 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.25 9.88 38.15 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 124.718 1.207 . . . . 100.0 112.182 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.87 -43.06 93.94 Favored Pre-proline 0 C--N 1.362 1.124 0 CA-C-O 115.769 -2.062 . . . . 100.0 111.867 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.24 -37.69 81.15 Favored 'Trans proline' 0 C--N 1.38 2.219 0 CA-C-N 122.781 2.029 . . . . 100.0 111.565 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.89 -45.15 90.67 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 124.311 1.044 . . . . 100.0 109.743 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.14 -42.03 98.84 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.768 1.227 . . . . 100.0 110.767 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -63.64 -44.73 92.98 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.776 0.83 . . . . 100.0 110.183 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.94 95.37 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 123.811 0.845 . . . . 100.0 112.239 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.63 -49.65 76.67 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 114.41 1.263 . . . . 100.0 114.41 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -104.97 -22.76 13.07 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 116.255 1.946 . . . . 100.0 116.255 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.261 89.4 m-85 72.68 -55.57 0.67 Allowed 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 116.26 1.948 . . . . 100.0 116.26 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -64.34 -62.81 1.37 Allowed 'General case' 0 C--N 1.361 1.075 0 CA-C-N 118.998 0.817 . . . . 100.0 109.713 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . 0.262 75.5 m-80 46.02 46.82 12.74 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 116.749 2.129 . . . . 100.0 116.749 177.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.72 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.46 19.31 79.47 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 112.075 -0.41 . . . . 100.0 112.075 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.253 90.8 m-85 56.11 41.82 29.08 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 127.088 2.155 . . . . 100.0 113.911 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -61.52 -45.2 95.18 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 126.506 1.922 . . . . 100.0 108.006 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.07 113.84 25.89 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 104.424 -2.436 . . . . 100.0 104.424 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.94 -26.24 65.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.923 1.289 . . . . 100.0 111.914 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.44 -36.2 73.28 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 128.718 2.807 . . . . 100.0 112.465 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -59.97 -41.26 91.59 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.358 1.063 . . . . 100.0 112.788 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.02 133.74 48.53 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 121.748 0.785 . . . . 100.0 109.951 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.09 -39.52 94.94 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 125.096 1.358 . . . . 100.0 112.28 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -90.28 7.79 36.57 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 123.716 0.806 . . . . 100.0 112.931 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 74.57 -53.01 0.68 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 126.602 1.961 . . . . 100.0 112.653 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -95.26 112.15 57.58 Favored Pre-proline 0 C--N 1.358 0.957 0 CA-C-N 119.469 1.031 . . . . 100.0 110.599 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -81.51 171.77 13.16 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 125.012 3.808 . . . . 100.0 112.081 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.84 -43.41 98.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.91 0.756 . . . . 100.0 110.691 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -108.92 102.35 11.37 Favored 'General case' 0 CA--C 1.494 -1.198 0 N-CA-C 107.134 -1.432 . . . . 100.0 107.134 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -70.57 -40.44 73.32 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.461 -1.245 . . . . 100.0 112.435 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 N--CA 1.432 -1.354 0 N-CA-C 114.934 1.457 . . . . 100.0 114.934 -178.201 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.72 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 12.6 t70 . . . . . 0 N--CA 1.436 -1.134 0 N-CA-C 108.108 -1.071 . . . . 100.0 108.108 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.52 -100.24 2.64 Favored Glycine 0 CA--C 1.485 -1.786 0 N-CA-C 104.187 -3.565 . . . . 100.0 104.187 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -116.06 103.64 10.77 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 107.351 -1.351 . . . . 100.0 107.351 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 51.61 40.74 27.83 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 126.749 2.019 . . . . 100.0 113.368 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -65.74 -41.65 91.94 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 122.814 0.446 . . . . 100.0 111.71 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 9.0 p -73.59 151.53 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.145 0 C-N-CA 123.623 0.769 . . . . 100.0 109.726 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 55.06 43.86 29.0 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 126.536 1.934 . . . . 100.0 111.157 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.21 -46.26 95.62 Favored Pre-proline 0 C--N 1.361 1.105 0 CA-C-O 116.969 -1.491 . . . . 100.0 111.102 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -72.77 159.36 48.62 Favored 'Trans proline' 0 C--N 1.379 2.139 0 CA-C-N 122.114 1.791 . . . . 100.0 109.449 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -64.08 131.35 47.25 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 121.222 0.534 . . . . 100.0 111.761 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.6 tp -115.54 -59.05 2.05 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 104.295 -2.483 . . . . 100.0 104.295 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -133.51 153.49 51.6 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 123.922 0.889 . . . . 100.0 108.676 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 87.0 mtp -64.13 -41.46 97.21 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.447 0.699 . . . . 100.0 111.798 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -81.24 128.33 33.67 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 105.446 -2.057 . . . . 100.0 105.446 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -99.83 111.45 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-O 122.772 1.272 . . . . 100.0 109.284 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.06 134.51 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 N-CA-C 100.88 -3.748 . . . . 100.0 100.88 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.18 -41.75 94.29 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.691 -0.855 . . . . 100.0 108.691 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -86.49 85.01 7.3 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.255 -1.017 . . . . 100.0 108.255 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -125.01 134.7 52.48 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 106.381 -1.711 . . . . 100.0 106.381 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 . . . . . 0 C--O 1.26 1.657 0 CA-C-N 114.808 -1.087 . . . . 100.0 108.796 179.673 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.479 0 N-CA-C 108.654 -1.778 . . . . 100.0 108.654 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t 53.96 51.84 13.98 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.174 1.39 . . . . 100.0 111.468 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.7 m 73.88 -54.39 0.68 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.776 2.43 . . . . 100.0 110.264 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.17 167.53 20.1 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 124.907 1.283 . . . . 100.0 109.114 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.6 75.27 10.31 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 106.851 -1.537 . . . . 100.0 106.851 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.89 39.84 26.73 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.549 2.339 . . . . 100.0 114.043 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.262 73.7 p 53.38 36.56 23.3 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 127.464 2.306 . . . . 100.0 115.944 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -66.22 -39.08 89.33 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.035 1.334 . . . . 100.0 112.078 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.74 -44.52 90.52 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.367 1.247 . . . . 100.0 114.367 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 54.98 37.53 29.02 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.941 1.83 . . . . 100.0 115.941 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.631 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.43 20.47 18.18 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.029 -1.044 . . . . 100.0 111.962 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.09 57.26 5.19 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.456 1.502 . . . . 100.0 114.259 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.868 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.78 124.95 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-O 122.101 0.953 . . . . 100.0 110.911 179.18 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.9 169.33 18.29 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.46 -1.311 . . . . 100.0 107.46 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.18 90.54 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.642 1.577 . . . . 100.0 109.716 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.04 -74.47 0.51 Allowed 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.943 -1.132 . . . . 100.0 107.943 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -156.7 -39.44 0.07 Allowed 'General case' 0 C--N 1.368 1.382 0 N-CA-C 115.799 1.777 . . . . 100.0 115.799 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.31 -175.15 4.53 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 116.343 1.979 . . . . 100.0 116.343 -175.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.3 p -71.67 163.22 28.17 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 118.742 -2.474 . . . . 100.0 111.18 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.478 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.1 m-85 -62.6 -23.69 67.17 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 113.09 0.774 . . . . 100.0 113.09 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.53 -41.99 98.45 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.785 -1.191 . . . . 100.0 107.785 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.22 9.84 38.23 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 124.746 1.218 . . . . 100.0 112.219 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.84 -43.03 93.99 Favored Pre-proline 0 C--N 1.362 1.138 0 CA-C-O 115.827 -2.035 . . . . 100.0 111.93 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.19 -37.76 81.11 Favored 'Trans proline' 0 C--N 1.381 2.252 0 CA-C-N 122.79 2.032 . . . . 100.0 111.603 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.83 -45.16 90.81 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 124.292 1.037 . . . . 100.0 109.796 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.09 -42.08 98.85 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 124.777 1.231 . . . . 100.0 110.786 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.426 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.66 -44.65 93.17 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 123.735 0.814 . . . . 100.0 110.189 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.0 95.51 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 123.852 0.861 . . . . 100.0 112.251 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.71 -48.4 81.95 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 114.436 1.273 . . . . 100.0 114.436 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -105.02 -21.75 13.23 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 113.913 1.079 . . . . 100.0 113.913 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.289 91.4 m-85 74.38 -54.58 0.67 Allowed 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 116.239 1.94 . . . . 100.0 116.239 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -66.69 -62.53 1.4 Allowed 'General case' 0 C--N 1.36 1.055 0 CA-C-N 119.431 1.014 . . . . 100.0 110.479 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.426 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 72.6 m-80 47.81 45.24 18.49 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 114.883 1.438 . . . . 100.0 114.883 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.662 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 73.12 23.32 77.91 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-O 119.927 -0.374 . . . . 100.0 112.29 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 95.8 m-85 56.42 41.51 28.79 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.258 1.823 . . . . 100.0 112.974 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -61.07 -46.15 91.83 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.957 2.103 . . . . 100.0 106.936 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.3 mt -96.98 118.03 32.49 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 105.01 -2.219 . . . . 100.0 105.01 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.48 -24.11 64.65 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.968 1.307 . . . . 100.0 111.676 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -57.9 -35.66 71.35 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 128.756 2.822 . . . . 100.0 112.209 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.97 -43.31 91.34 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.266 1.426 . . . . 100.0 113.036 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.52 136.37 49.32 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.336 0.588 . . . . 100.0 110.543 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -62.8 -41.08 99.13 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 124.492 1.117 . . . . 100.0 112.455 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -88.95 4.13 49.14 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.331 0.652 . . . . 100.0 112.008 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.7 t90 74.06 -45.02 0.58 Allowed 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.969 2.508 . . . . 100.0 112.61 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -91.62 109.28 35.43 Favored Pre-proline 0 C--N 1.359 1.003 0 N-CA-C 106.338 -1.727 . . . . 100.0 106.338 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -81.59 168.19 16.38 Favored 'Trans proline' 0 C--N 1.365 1.446 0 C-N-CA 124.813 3.675 . . . . 100.0 114.608 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -64.33 -44.49 91.34 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 124.166 0.916 . . . . 100.0 109.638 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 81.4 mm-40 -109.27 101.43 10.44 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 105.275 -2.12 . . . . 100.0 105.275 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.7 tp -70.1 -39.95 75.23 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.813 1.245 . . . . 100.0 112.52 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 CA--C 1.494 -1.191 0 N-CA-C 115.782 1.771 . . . . 100.0 115.782 -178.128 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.662 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 14.7 t70 . . . . . 0 N--CA 1.439 -1.018 0 N-CA-C 108.252 -1.018 . . . . 100.0 108.252 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.42 -98.8 2.57 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 104.18 -3.568 . . . . 100.0 104.18 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -115.78 103.53 10.75 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 105.983 -1.858 . . . . 100.0 105.983 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 51.79 41.01 28.91 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.725 1.61 . . . . 100.0 114.419 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -67.18 -41.69 85.48 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.395 -0.816 . . . . 100.0 111.896 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.0 150.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 C-N-CA 123.786 0.834 . . . . 100.0 109.912 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 54.13 47.48 23.12 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 125.452 1.501 . . . . 100.0 111.19 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.14 -45.02 95.78 Favored Pre-proline 0 N--CA 1.44 -0.958 0 CA-C-O 117.19 -1.386 . . . . 100.0 109.713 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -71.89 156.83 56.07 Favored 'Trans proline' 0 C--N 1.383 2.351 0 C-N-CA 121.906 1.737 . . . . 100.0 109.077 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.06 130.92 44.69 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 109.226 -0.657 . . . . 100.0 109.226 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.3 tp -119.63 -54.95 2.14 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 106.925 -1.509 . . . . 100.0 106.925 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -128.22 154.92 45.31 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 108.207 -1.035 . . . . 100.0 108.207 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.3 mtp -63.0 -42.83 99.95 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 124.709 1.203 . . . . 100.0 111.232 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -88.69 129.93 35.42 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 105.768 -1.938 . . . . 100.0 105.768 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.94 107.18 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 N-CA-C 106.269 -1.752 . . . . 100.0 106.269 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.04 135.56 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 N-CA-C 100.477 -3.898 . . . . 100.0 100.477 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -65.27 -41.98 93.68 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.008 -1.108 . . . . 100.0 108.008 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -86.14 89.35 7.8 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 122.002 0.906 . . . . 100.0 108.87 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -130.64 138.9 50.31 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 103.488 -2.782 . . . . 100.0 103.488 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.261 1.676 0 N-CA-C 105.609 -1.996 . . . . 100.0 105.609 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.517 0 N-CA-C 108.647 -1.781 . . . . 100.0 108.647 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t 53.98 51.83 13.98 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.2 1.4 . . . . 100.0 111.506 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m 73.81 -54.36 0.68 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.833 2.453 . . . . 100.0 110.248 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.11 167.52 20.07 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.896 1.278 . . . . 100.0 109.114 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.55 75.19 10.3 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.898 -1.519 . . . . 100.0 106.898 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.88 39.81 26.63 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.566 2.346 . . . . 100.0 114.084 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 72.7 p 53.38 36.62 23.45 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 127.486 2.314 . . . . 100.0 115.962 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -66.25 -39.08 89.26 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.029 1.332 . . . . 100.0 111.999 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.82 -44.47 90.87 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 114.33 1.233 . . . . 100.0 114.33 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 54.99 37.51 29.0 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 115.911 1.819 . . . . 100.0 115.911 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.626 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.42 20.49 18.16 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 121.049 -1.032 . . . . 100.0 111.982 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.97 57.37 5.17 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.487 1.515 . . . . 100.0 114.3 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.87 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.88 125.01 61.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 CA-C-O 122.126 0.965 . . . . 100.0 110.866 179.197 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.98 169.24 18.29 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.459 -1.311 . . . . 100.0 107.459 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.68 -39.13 90.35 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 125.632 1.573 . . . . 100.0 109.704 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.08 -74.36 0.52 Allowed 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 108.021 -1.103 . . . . 100.0 108.021 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -156.73 -39.53 0.07 Allowed 'General case' 0 C--N 1.367 1.37 0 N-CA-C 115.811 1.782 . . . . 100.0 115.811 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.32 -175.14 4.52 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 116.365 1.987 . . . . 100.0 116.365 -175.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.1 p -71.74 163.2 28.23 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 118.718 -2.489 . . . . 100.0 111.167 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.483 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.5 -23.75 67.11 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 113.102 0.778 . . . . 100.0 113.102 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.45 -42.03 98.65 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 107.845 -1.169 . . . . 100.0 107.845 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -95.24 9.85 38.22 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.706 1.203 . . . . 100.0 112.167 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.483 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.83 -43.05 94.05 Favored Pre-proline 0 C--N 1.362 1.142 0 CA-C-O 115.798 -2.049 . . . . 100.0 111.933 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.18 -37.73 81.43 Favored 'Trans proline' 0 C--N 1.38 2.229 0 CA-C-N 122.782 2.029 . . . . 100.0 111.554 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.91 -45.2 90.37 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.301 1.04 . . . . 100.0 109.706 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.08 -42.06 98.82 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 124.787 1.235 . . . . 100.0 110.777 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.416 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.59 -44.76 93.1 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.765 0.826 . . . . 100.0 110.183 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.94 95.4 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 123.753 0.821 . . . . 100.0 112.286 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.7 -50.93 71.5 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 114.409 1.263 . . . . 100.0 114.409 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -101.49 -23.62 14.29 Favored 'General case' 0 C--N 1.366 1.316 0 N-CA-C 113.756 1.021 . . . . 100.0 113.756 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 74.62 -54.93 0.66 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 126.539 1.936 . . . . 100.0 114.264 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -65.55 -62.41 1.53 Allowed 'General case' 0 C--N 1.366 1.291 0 CA-C-N 119.715 1.143 . . . . 100.0 110.97 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 65.8 m-80 48.64 44.61 21.33 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 115.744 1.757 . . . . 100.0 115.744 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.627 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.91 20.6 79.38 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.144 -0.782 . . . . 100.0 111.144 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 55.62 41.79 30.21 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 127.307 2.243 . . . . 100.0 113.753 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -60.54 -46.02 91.73 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 127.57 2.348 . . . . 100.0 108.302 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.66 113.21 24.9 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 104.396 -2.446 . . . . 100.0 104.396 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.18 -34.96 79.62 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 125.643 1.577 . . . . 100.0 112.919 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.1 -25.32 63.71 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.778 2.031 . . . . 100.0 113.399 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.5 -42.44 96.37 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.26 1.024 . . . . 100.0 111.489 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.91 134.34 44.75 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.825 0.821 . . . . 100.0 110.799 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.44 -39.03 93.39 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 125.139 1.376 . . . . 100.0 112.41 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -86.34 2.81 46.08 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.999 0.92 . . . . 100.0 112.18 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 75.97 -49.74 0.6 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.117 2.567 . . . . 100.0 111.161 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -96.95 111.25 57.15 Favored Pre-proline 0 N--CA 1.438 -1.032 0 CA-C-N 118.945 0.793 . . . . 100.0 109.775 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -82.52 173.91 10.18 Favored 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 124.876 3.717 . . . . 100.0 112.068 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.36 -43.56 98.54 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 123.985 0.914 . . . . 100.0 111.037 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -107.41 101.91 11.23 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.908 -1.515 . . . . 100.0 106.908 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.85 -39.52 72.89 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 112.939 0.718 . . . . 100.0 112.939 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt . . . . . 0 N--CA 1.437 -1.084 0 C-N-CA 125.474 1.51 . . . . 100.0 113.97 -178.064 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.627 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 11.5 t70 . . . . . 0 N--CA 1.441 -0.913 0 CA-C-O 121.543 0.687 . . . . 100.0 109.754 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.49 -99.19 2.56 Favored Glycine 0 CA--C 1.487 -1.662 0 N-CA-C 104.014 -3.634 . . . . 100.0 104.014 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -118.32 102.15 8.74 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 107.433 -1.321 . . . . 100.0 107.433 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 52.77 40.22 30.11 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 126.546 1.939 . . . . 100.0 112.642 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.77 -41.14 92.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 122.659 0.384 . . . . 100.0 111.67 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.27 150.35 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 123.166 0.586 . . . . 100.0 109.432 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 55.07 47.17 22.57 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.957 1.703 . . . . 100.0 112.363 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.95 -47.81 94.46 Favored Pre-proline 0 C--N 1.359 0.99 0 CA-C-O 116.805 -1.569 . . . . 100.0 109.912 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.87 155.85 53.08 Favored 'Trans proline' 0 C--N 1.379 2.184 0 CA-C-N 122.277 1.849 . . . . 100.0 109.166 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -67.44 131.58 45.96 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 121.428 0.632 . . . . 100.0 110.485 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.4 tp -115.56 -55.92 2.39 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.384 -1.71 . . . . 100.0 106.384 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -129.15 151.0 50.29 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 107.43 -1.322 . . . . 100.0 107.43 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.7 mmm -64.78 -40.21 94.87 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 123.616 0.766 . . . . 100.0 111.298 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -81.26 124.79 29.61 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 105.006 -2.22 . . . . 100.0 105.006 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.6 109.55 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 108.029 -1.1 . . . . 100.0 108.029 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.04 137.09 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 100.739 -3.8 . . . . 100.0 100.739 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -64.9 -42.01 95.11 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.625 -0.88 . . . . 100.0 108.625 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -85.68 84.73 7.5 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.148 -0.686 . . . . 100.0 109.148 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -125.03 134.26 52.62 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 105.246 -2.131 . . . . 100.0 105.246 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 . . . . . 0 C--O 1.261 1.7 0 N-CA-C 104.683 -2.34 . . . . 100.0 104.683 178.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.495 0 N-CA-C 108.622 -1.791 . . . . 100.0 108.622 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 54.02 51.8 13.99 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.223 1.409 . . . . 100.0 111.492 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.32 0.68 Allowed 'General case' 0 C--N 1.366 1.284 0 C-N-CA 127.8 2.44 . . . . 100.0 110.253 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.54 20.11 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 124.938 1.295 . . . . 100.0 109.078 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.58 75.17 10.31 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.849 -1.537 . . . . 100.0 106.849 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.93 39.85 26.9 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.576 2.351 . . . . 100.0 114.005 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 74.7 p 53.37 36.6 23.37 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 127.475 2.31 . . . . 100.0 115.93 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -39.11 89.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.044 1.338 . . . . 100.0 112.018 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.83 -44.5 90.93 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.289 1.218 . . . . 100.0 114.289 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.0 37.51 29.03 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 115.967 1.839 . . . . 100.0 115.967 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.633 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.45 20.47 18.17 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 121.012 -1.055 . . . . 100.0 111.937 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.05 57.3 5.18 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.499 1.52 . . . . 100.0 114.298 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.857 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.8 124.9 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 122.078 0.942 . . . . 100.0 110.947 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.86 169.29 18.41 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.982 1.313 . . . . 100.0 107.46 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.16 90.5 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 125.638 1.575 . . . . 100.0 109.726 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.04 -74.4 0.51 Allowed 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 108.012 -1.107 . . . . 100.0 108.012 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.4 p -156.71 -39.48 0.07 Allowed 'General case' 0 C--N 1.367 1.366 0 N-CA-C 115.821 1.786 . . . . 100.0 115.821 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.35 -175.16 4.55 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 116.368 1.988 . . . . 100.0 116.368 -175.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.6 p -71.69 163.24 28.15 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 118.72 -2.487 . . . . 100.0 111.232 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.487 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.57 -23.7 67.15 Favored 'General case' 0 C--N 1.358 0.97 0 N-CA-C 113.118 0.784 . . . . 100.0 113.118 178.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.5 -42.05 98.53 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.8 -1.185 . . . . 100.0 107.8 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.19 9.89 38.0 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.684 1.194 . . . . 100.0 112.223 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.85 -43.07 94.01 Favored Pre-proline 0 C--N 1.362 1.134 0 CA-C-O 115.845 -2.026 . . . . 100.0 111.922 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.14 -37.77 81.47 Favored 'Trans proline' 0 C--N 1.381 2.272 0 CA-C-N 122.748 2.017 . . . . 100.0 111.619 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 -45.12 90.95 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.27 1.028 . . . . 100.0 109.812 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.1 m -62.16 -42.02 98.87 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.74 1.216 . . . . 100.0 110.747 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -63.63 -44.68 93.18 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 123.76 0.824 . . . . 100.0 110.193 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.87 95.13 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 123.746 0.818 . . . . 100.0 112.274 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.73 -51.24 70.18 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 114.38 1.252 . . . . 100.0 114.38 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -100.41 -26.32 13.91 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 119.078 -1.049 . . . . 100.0 113.831 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 74.82 -52.99 0.68 Allowed 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 125.728 1.611 . . . . 100.0 113.571 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -63.87 -63.33 1.19 Allowed 'General case' 0 C--N 1.363 1.169 0 CA-C-N 119.582 1.083 . . . . 100.0 110.374 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 49.05 43.82 22.39 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.459 1.504 . . . . 100.0 114.678 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.658 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.27 21.92 76.97 Favored Glycine 0 C--N 1.355 1.603 0 O-C-N 122.078 -0.389 . . . . 100.0 112.151 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 95.2 m-85 57.06 39.08 29.44 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.737 2.015 . . . . 100.0 112.913 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -62.31 -43.82 97.95 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.631 1.572 . . . . 100.0 107.975 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.4 mt -92.77 114.53 27.11 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.896 -2.261 . . . . 100.0 104.896 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.64 -36.48 84.41 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.755 1.622 . . . . 100.0 112.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.54 -23.44 64.59 Favored 'General case' 0 CA--C 1.504 -0.825 0 C-N-CA 126.142 1.777 . . . . 100.0 115.082 -177.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -60.12 -43.77 95.37 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.888 1.275 . . . . 100.0 111.678 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.52 136.37 45.86 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 121.701 0.763 . . . . 100.0 110.815 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.55 -39.71 95.13 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 124.72 1.208 . . . . 100.0 112.62 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -85.84 -1.43 57.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.525 0.73 . . . . 100.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.425 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 92.3 t90 73.81 -40.24 0.45 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.06 2.944 . . . . 100.0 112.116 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -91.29 107.14 19.33 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 105.382 -2.081 . . . . 100.0 105.382 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 27.4 Cg_endo -81.56 168.02 16.56 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 124.531 3.487 . . . . 100.0 114.341 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -63.93 -44.7 92.09 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 124.631 1.173 . . . . 100.0 109.296 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 67.8 mm-40 -111.34 105.31 13.91 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 105.501 -2.037 . . . . 100.0 105.501 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.0 -41.5 74.27 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 113.411 0.893 . . . . 100.0 113.411 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 CA--C 1.489 -1.404 0 N-CA-C 116.146 1.906 . . . . 100.0 116.146 -176.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.658 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 19.6 t70 . . . . . 0 N--CA 1.439 -1.006 0 N-CA-C 107.609 -1.256 . . . . 100.0 107.609 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.5 -98.97 2.5 Favored Glycine 0 CA--C 1.484 -1.879 0 N-CA-C 104.048 -3.621 . . . . 100.0 104.048 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -119.06 102.24 8.6 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 106.871 -1.529 . . . . 100.0 106.871 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 52.5 39.03 27.1 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 127.244 2.218 . . . . 100.0 113.009 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.29 -41.18 90.17 Favored 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 123.33 0.652 . . . . 100.0 111.503 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.03 147.16 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 C-N-CA 123.48 0.712 . . . . 100.0 110.227 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' CD1' HD11 ' A' ' 62' ' ' LEU . 49.6 m-85 53.51 48.45 21.73 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 126.867 2.067 . . . . 100.0 112.142 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.26 -44.55 93.66 Favored Pre-proline 0 C--N 1.357 0.91 0 CA-C-O 116.698 -1.62 . . . . 100.0 109.208 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.87 151.21 78.54 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.007 1.805 . . . . 100.0 109.252 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.31 132.22 47.29 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.647 0.592 . . . . 100.0 110.436 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD11 ' CD1' ' A' ' 58' ' ' PHE . 85.0 mt -114.82 -55.11 2.52 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.605 -1.628 . . . . 100.0 106.605 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -130.99 153.4 49.26 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.358 -1.349 . . . . 100.0 107.358 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.3 mtp -63.37 -42.09 98.85 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.421 1.088 . . . . 100.0 111.3 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -82.97 130.1 35.1 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 106.483 -1.673 . . . . 100.0 106.483 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.54 108.75 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 CA-C-O 122.47 1.129 . . . . 100.0 108.435 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.0 t -128.48 133.4 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 1 N-CA-C 100.104 -4.036 . . . . 100.0 100.104 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.88 -41.26 95.78 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.338 -0.986 . . . . 100.0 108.338 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.54 88.27 7.61 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.523 -0.917 . . . . 100.0 108.523 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.3 m -122.56 132.6 54.38 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 104.397 -2.445 . . . . 100.0 104.397 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 . . . . . 0 C--O 1.263 1.765 0 N-CA-C 106.522 -1.659 . . . . 100.0 106.522 179.289 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.525 0 N-CA-C 108.664 -1.774 . . . . 100.0 108.664 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 53.94 51.86 13.97 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 125.223 1.409 . . . . 100.0 111.45 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.85 -54.41 0.68 Allowed 'General case' 0 C--N 1.365 1.273 0 C-N-CA 127.807 2.443 . . . . 100.0 110.204 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.07 167.51 20.05 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 124.895 1.278 . . . . 100.0 109.135 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.56 75.21 10.3 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 106.843 -1.54 . . . . 100.0 106.843 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.93 39.77 26.72 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.569 2.348 . . . . 100.0 114.031 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.263 74.8 p 53.47 36.54 23.45 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.407 2.283 . . . . 100.0 115.952 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -66.24 -39.07 89.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.984 1.313 . . . . 100.0 112.039 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.79 -44.51 90.75 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 114.307 1.225 . . . . 100.0 114.307 -175.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 54.96 37.53 28.98 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 115.975 1.843 . . . . 100.0 115.975 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.629 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.49 20.56 18.05 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 121.053 -1.03 . . . . 100.0 111.946 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 56.03 57.32 5.18 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.508 1.523 . . . . 100.0 114.287 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.863 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.85 124.95 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-O 122.108 0.956 . . . . 100.0 110.892 179.224 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.89 169.27 18.39 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 124.967 1.307 . . . . 100.0 107.522 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.464 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.68 -39.2 90.59 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 125.668 1.587 . . . . 100.0 109.663 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.2 t60 -92.06 -74.42 0.51 Allowed 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.944 -1.132 . . . . 100.0 107.944 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -156.71 -39.52 0.07 Allowed 'General case' 0 C--N 1.367 1.355 0 N-CA-C 115.794 1.775 . . . . 100.0 115.794 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.36 -175.18 4.56 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 116.296 1.961 . . . . 100.0 116.296 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.4 p -71.64 163.22 28.16 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 118.664 -2.522 . . . . 100.0 111.211 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.485 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.54 -23.78 67.16 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 113.06 0.763 . . . . 100.0 113.06 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.46 -41.99 98.63 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.839 -1.171 . . . . 100.0 107.839 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -95.28 9.92 38.02 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 124.682 1.193 . . . . 100.0 112.183 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.86 -43.07 93.97 Favored Pre-proline 0 C--N 1.363 1.17 0 CA-C-O 115.768 -2.063 . . . . 100.0 111.893 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.17 -37.77 81.25 Favored 'Trans proline' 0 C--N 1.379 2.176 0 CA-C-N 122.773 2.026 . . . . 100.0 111.568 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.83 -45.13 90.95 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.368 1.043 . . . . 100.0 109.82 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.18 -42.05 98.91 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.8 1.24 . . . . 100.0 110.751 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.428 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.58 -44.74 93.19 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.8 0.84 . . . . 100.0 110.178 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.89 95.16 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 123.719 0.808 . . . . 100.0 112.219 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.68 -50.38 73.74 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 114.421 1.267 . . . . 100.0 114.421 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.454 HE21 ' HG2' ' A' ' 69' ' ' GLU . 45.9 tt0 -102.65 -26.06 13.33 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 119.374 -0.931 . . . . 100.0 113.389 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.291 87.6 m-85 74.77 -52.56 0.68 Allowed 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 125.779 1.632 . . . . 100.0 114.607 -177.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -62.54 -64.25 0.98 Allowed 'General case' 0 C--N 1.36 1.047 0 CA-C-N 119.105 0.866 . . . . 100.0 110.214 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 71.4 m-80 46.96 45.76 15.54 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 115.849 1.796 . . . . 100.0 115.849 176.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.69 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.79 21.99 77.71 Favored Glycine 0 C--N 1.355 1.599 0 C-N-CA 121.513 -0.375 . . . . 100.0 112.187 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 85.3 m-85 56.51 41.18 29.04 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 126.873 2.069 . . . . 100.0 112.85 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -61.59 -44.77 96.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 127.015 2.126 . . . . 100.0 107.763 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.7 mt -96.49 116.24 28.75 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 104.958 -2.238 . . . . 100.0 104.958 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.08 -34.84 79.37 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 125.299 1.44 . . . . 100.0 113.005 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -57.59 -28.67 63.82 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 127.364 2.266 . . . . 100.0 113.256 -177.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.66 -43.36 93.98 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.225 1.41 . . . . 100.0 112.567 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.23 135.74 49.29 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 121.691 0.758 . . . . 100.0 111.538 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.55 -40.61 97.37 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 125.125 1.37 . . . . 100.0 111.968 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -88.9 3.87 49.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 123.634 0.774 . . . . 100.0 112.309 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.7 t-105 75.33 -49.9 0.64 Allowed 'General case' 0 C--N 1.364 1.199 0 C-N-CA 127.416 2.286 . . . . 100.0 111.986 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -94.13 112.12 56.03 Favored Pre-proline 0 N--CA 1.436 -1.167 0 N-CA-C 107.573 -1.269 . . . . 100.0 107.573 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -81.93 169.74 14.5 Favored 'Trans proline' 0 C--N 1.362 1.272 0 C-N-CA 124.996 3.797 . . . . 100.0 112.654 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.37 -43.88 96.37 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 109.091 -0.707 . . . . 100.0 109.091 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 79.1 mm-40 -109.77 103.88 12.76 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.545 -0.909 . . . . 100.0 108.545 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.8 tp -70.22 -40.33 74.6 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.665 -1.152 . . . . 100.0 111.349 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 CA--C 1.489 -1.387 0 N-CA-C 115.163 1.542 . . . . 100.0 115.163 -177.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.69 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.2 t70 . . . . . 0 N--CA 1.442 -0.849 0 N-CA-C 108.203 -1.036 . . . . 100.0 108.203 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.62 -98.52 2.49 Favored Glycine 0 CA--C 1.485 -1.811 0 N-CA-C 103.562 -3.815 . . . . 100.0 103.562 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -118.75 102.76 9.07 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 107.663 -1.236 . . . . 100.0 107.663 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 52.57 39.9 28.94 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.393 2.277 . . . . 100.0 112.811 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -65.47 -42.05 92.67 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 116.333 -0.394 . . . . 100.0 111.41 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.17 156.64 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 109.378 -0.601 . . . . 100.0 109.378 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 57.04 42.94 25.25 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 126.026 1.73 . . . . 100.0 110.594 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -61.04 -47.39 95.43 Favored Pre-proline 0 C--N 1.36 1.027 0 CA-C-O 116.741 -1.6 . . . . 100.0 110.092 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -73.79 157.42 47.84 Favored 'Trans proline' 0 C--N 1.379 2.153 0 CA-C-N 122.179 1.814 . . . . 100.0 109.336 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -68.8 130.36 42.6 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.157 -1.053 . . . . 100.0 108.157 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.2 tp -118.01 -53.16 2.39 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 107.397 -1.334 . . . . 100.0 107.397 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -128.36 152.53 48.07 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.65 -1.241 . . . . 100.0 107.65 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 91.1 mmm -62.76 -43.22 99.38 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 124.643 1.177 . . . . 100.0 111.679 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -88.22 130.25 35.13 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 105.975 -1.861 . . . . 100.0 105.975 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -95.49 110.16 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-O 122.484 1.135 . . . . 100.0 108.143 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.2 t -129.73 136.19 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 100.311 -3.959 . . . . 100.0 100.311 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -63.84 -41.88 97.73 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.502 -0.925 . . . . 100.0 108.502 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG2' HE21 ' A' ' 30' ' ' GLN . 53.9 mt-10 -87.64 93.11 9.34 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 108.621 -0.881 . . . . 100.0 108.621 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.3 m -124.52 131.62 53.48 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 104.289 -2.485 . . . . 100.0 104.289 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 . . . . . 0 C--O 1.261 1.67 0 N-CA-C 105.313 -2.106 . . . . 100.0 105.313 179.567 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.497 0 N-CA-C 108.636 -1.786 . . . . 100.0 108.636 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 54.01 51.83 13.95 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.175 1.39 . . . . 100.0 111.464 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.1 m 73.79 -54.36 0.68 Allowed 'General case' 0 C--N 1.364 1.225 0 C-N-CA 127.85 2.46 . . . . 100.0 110.219 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.11 167.5 20.11 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 124.909 1.284 . . . . 100.0 109.109 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.6 75.24 10.31 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 106.836 -1.542 . . . . 100.0 106.836 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.89 39.81 26.69 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 127.518 2.327 . . . . 100.0 114.076 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 75.0 p 53.34 36.63 23.38 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 127.412 2.285 . . . . 100.0 115.972 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -66.31 -39.04 89.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.997 1.319 . . . . 100.0 112.032 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.81 -44.51 90.81 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 114.312 1.227 . . . . 100.0 114.312 -175.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.03 37.54 29.07 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 115.94 1.83 . . . . 100.0 115.94 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.63 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.2 pt20 -109.48 20.46 18.17 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 121.061 -1.024 . . . . 100.0 111.953 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.07 57.3 5.18 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.462 1.505 . . . . 100.0 114.249 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.873 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.8 124.98 61.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 122.114 0.959 . . . . 100.0 110.875 179.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.94 169.29 18.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.442 -1.318 . . . . 100.0 107.442 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.66 -39.22 90.59 Favored 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 125.681 1.593 . . . . 100.0 109.656 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.06 -74.45 0.51 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 107.951 -1.129 . . . . 100.0 107.951 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.72 -39.53 0.07 Allowed 'General case' 0 C--N 1.367 1.34 0 N-CA-C 115.799 1.777 . . . . 100.0 115.799 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.35 -175.18 4.56 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 116.296 1.961 . . . . 100.0 116.296 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.6 p -71.63 163.18 28.24 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 118.69 -2.506 . . . . 100.0 111.186 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.54 -23.71 67.13 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 113.146 0.795 . . . . 100.0 113.146 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.46 -42.08 98.62 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 107.825 -1.176 . . . . 100.0 107.825 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.16 9.89 37.95 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 124.721 1.208 . . . . 100.0 112.208 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.0 t -59.88 -43.07 93.94 Favored Pre-proline 0 C--N 1.363 1.161 0 CA-C-O 115.792 -2.051 . . . . 100.0 111.867 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.16 -37.74 81.49 Favored 'Trans proline' 0 C--N 1.381 2.25 0 CA-C-N 122.759 2.021 . . . . 100.0 111.583 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.89 -45.13 90.75 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.293 1.037 . . . . 100.0 109.795 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.15 -41.98 98.81 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 124.724 1.21 . . . . 100.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.405 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.67 -44.7 92.99 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.772 0.829 . . . . 100.0 110.157 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.9 95.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 123.821 0.848 . . . . 100.0 112.243 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.7 -50.37 73.77 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 114.436 1.273 . . . . 100.0 114.436 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -102.82 -22.74 13.84 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 113.813 1.042 . . . . 100.0 113.813 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.305 91.8 m-85 74.48 -55.57 0.65 Allowed 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 116.321 1.971 . . . . 100.0 116.321 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -65.05 -62.79 1.34 Allowed 'General case' 0 C--N 1.363 1.194 0 CA-C-N 120.091 1.314 . . . . 100.0 110.445 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.405 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 68.1 m-80 48.24 44.75 19.9 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 115.009 1.485 . . . . 100.0 115.009 176.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.693 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.83 20.69 77.74 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 121.815 -0.553 . . . . 100.0 112.277 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 55.23 41.53 31.32 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 127.151 2.18 . . . . 100.0 113.077 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -61.26 -45.17 95.63 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.998 2.119 . . . . 100.0 107.882 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.0 mt -97.01 116.21 28.82 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 104.763 -2.31 . . . . 100.0 104.763 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.78 -38.07 89.75 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 125.731 1.613 . . . . 100.0 112.653 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.86 -23.11 64.9 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 116.406 2.002 . . . . 100.0 116.406 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -62.52 -41.0 98.56 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.889 0.768 . . . . 100.0 111.576 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.16 136.8 55.64 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.378 0.609 . . . . 100.0 110.748 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.16 -41.87 98.71 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 124.699 1.199 . . . . 100.0 112.792 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -89.11 3.11 52.93 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 123.052 0.541 . . . . 100.0 112.037 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.441 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 89.8 t90 73.52 -44.41 0.58 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.386 2.274 . . . . 100.0 112.569 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -90.22 107.06 17.11 Favored Pre-proline 0 C--N 1.357 0.926 0 N-CA-C 105.298 -2.112 . . . . 100.0 105.298 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 27.3 Cg_endo -81.47 171.32 13.67 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 124.62 3.547 . . . . 100.0 114.314 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -62.01 -46.41 89.32 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.789 1.236 . . . . 100.0 108.444 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.41 106.87 15.48 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 107.915 -1.143 . . . . 100.0 107.915 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.46 -39.76 74.09 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 123.665 0.786 . . . . 100.0 111.579 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 CA--C 1.492 -1.261 0 C-N-CA 125.598 1.559 . . . . 100.0 114.908 -177.318 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.693 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 16.4 t70 . . . . . 0 N--CA 1.441 -0.92 0 N-CA-C 108.6 -0.889 . . . . 100.0 108.6 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.73 -100.87 2.67 Favored Glycine 0 CA--C 1.487 -1.686 0 N-CA-C 104.859 -3.297 . . . . 100.0 104.859 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -116.23 100.99 8.31 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 106.708 -1.59 . . . . 100.0 106.708 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 52.25 40.12 28.39 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.045 2.138 . . . . 100.0 112.894 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -66.44 -40.76 89.68 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 123.245 0.618 . . . . 100.0 111.224 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.4 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 9.8 p -72.82 150.05 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 C-N-CA 123.994 0.918 . . . . 100.0 109.892 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 54.42 44.66 28.53 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 126.784 2.033 . . . . 100.0 110.824 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.414 ' N ' ' HD2' ' A' ' 60' ' ' PRO . 31.5 t70 -61.7 -46.07 93.23 Favored Pre-proline 0 C--N 1.364 1.204 0 CA-C-O 116.644 -1.646 . . . . 100.0 108.981 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 59' ' ' ASP . 74.3 Cg_endo -70.01 151.38 67.61 Favored 'Trans proline' 0 C--N 1.386 2.53 0 CA-C-N 122.175 1.813 . . . . 100.0 107.859 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.99 131.08 45.65 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 121.53 0.681 . . . . 100.0 111.443 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 tp -116.99 -54.95 2.39 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 105.744 -1.947 . . . . 100.0 105.744 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -131.7 152.26 51.02 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 107.004 -1.48 . . . . 100.0 107.004 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 70.4 mtm -63.25 -42.34 99.18 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.658 1.183 . . . . 100.0 111.03 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.19 128.97 34.95 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 106.112 -1.81 . . . . 100.0 106.112 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.31 106.99 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 107.658 -1.238 . . . . 100.0 107.658 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -128.77 135.89 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 N-CA-C 100.383 -3.932 . . . . 100.0 100.383 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -64.86 -41.91 95.29 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.771 -0.581 . . . . 100.0 109.671 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -85.9 88.05 7.51 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 107.607 -1.257 . . . . 100.0 107.607 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.7 m -121.17 130.93 53.95 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 104.408 -2.441 . . . . 100.0 104.408 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 . . . . . 0 C--O 1.261 1.698 0 N-CA-C 109.183 -0.673 . . . . 100.0 109.183 -179.894 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.502 0 N-CA-C 108.635 -1.786 . . . . 100.0 108.635 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 53.95 51.85 13.98 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.217 1.407 . . . . 100.0 111.5 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 m 73.89 -54.38 0.68 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 127.766 2.426 . . . . 100.0 110.231 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.53 20.12 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 124.882 1.273 . . . . 100.0 109.108 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.56 75.2 10.3 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 106.843 -1.54 . . . . 100.0 106.843 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.87 39.87 26.74 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 127.613 2.365 . . . . 100.0 114.056 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 73.5 p 53.33 36.61 23.3 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 127.456 2.302 . . . . 100.0 116.001 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -66.22 -39.1 89.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.027 1.331 . . . . 100.0 112.035 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.87 -44.44 91.07 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.309 1.226 . . . . 100.0 114.309 -175.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 55.03 37.44 28.92 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 115.949 1.833 . . . . 100.0 115.949 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.63 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.44 20.55 18.09 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.995 -1.066 . . . . 100.0 111.925 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.03 57.29 5.2 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.48 1.512 . . . . 100.0 114.266 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.869 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.83 124.93 61.27 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-O 122.127 0.965 . . . . 100.0 110.928 179.16 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.87 169.28 18.4 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.016 1.327 . . . . 100.0 107.494 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.17 90.52 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 125.668 1.587 . . . . 100.0 109.694 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.09 -74.39 0.51 Allowed 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.958 -1.127 . . . . 100.0 107.958 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.74 -39.48 0.07 Allowed 'General case' 0 C--N 1.367 1.348 0 N-CA-C 115.836 1.791 . . . . 100.0 115.836 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.31 -175.25 4.58 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 116.338 1.977 . . . . 100.0 116.338 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.3 p -71.58 163.21 28.17 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 118.678 -2.513 . . . . 100.0 111.236 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.48 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.2 m-85 -62.6 -23.74 67.2 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 113.037 0.754 . . . . 100.0 113.037 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.45 -42.02 98.63 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 107.81 -1.181 . . . . 100.0 107.81 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.24 9.86 38.2 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 124.682 1.193 . . . . 100.0 112.158 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.48 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.85 -43.06 94.0 Favored Pre-proline 0 C--N 1.362 1.129 0 CA-C-O 115.784 -2.055 . . . . 100.0 111.928 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.21 -37.68 81.53 Favored 'Trans proline' 0 C--N 1.38 2.207 0 CA-C-N 122.76 2.021 . . . . 100.0 111.612 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.86 -45.17 90.66 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.287 1.035 . . . . 100.0 109.776 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.14 -42.01 98.83 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 124.749 1.219 . . . . 100.0 110.8 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.401 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.65 -44.7 93.07 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 123.748 0.819 . . . . 100.0 110.19 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.88 95.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 123.785 0.834 . . . . 100.0 112.261 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.73 -50.52 73.13 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 114.382 1.253 . . . . 100.0 114.382 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -102.26 -25.48 13.66 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 113.59 0.959 . . . . 100.0 113.59 -177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.311 90.8 m-85 74.58 -53.33 0.68 Allowed 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 115.45 1.648 . . . . 100.0 115.45 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.44 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 99.6 mtt180 -63.92 -62.36 1.69 Allowed 'General case' 0 C--N 1.363 1.167 0 CA-C-N 119.984 1.265 . . . . 100.0 110.17 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 59.4 m-80 48.65 42.98 20.24 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.484 1.513 . . . . 100.0 114.636 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.643 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.08 21.63 78.85 Favored Glycine 0 C--N 1.355 1.638 0 O-C-N 121.88 -0.513 . . . . 100.0 111.852 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 56.22 40.31 30.03 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 127.22 2.208 . . . . 100.0 114.265 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -62.77 -43.01 99.92 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 125.83 1.652 . . . . 100.0 107.51 177.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 tp -95.14 113.14 24.8 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 105.6 -2.0 . . . . 100.0 105.6 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.39 -36.96 85.83 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 126.469 1.908 . . . . 100.0 113.016 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.98 -32.11 65.75 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 127.541 2.336 . . . . 100.0 114.209 -176.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 66.5 t80 -59.61 -43.57 93.73 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 113.401 0.889 . . . . 100.0 113.401 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.16 136.03 55.37 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 121.691 0.758 . . . . 100.0 110.558 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.05 -42.26 98.99 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 125.056 1.342 . . . . 100.0 112.286 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.79 0.67 54.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 123.579 0.752 . . . . 100.0 111.584 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . 0.256 89.7 t90 74.24 -47.11 0.63 Allowed 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.334 2.254 . . . . 100.0 112.912 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -86.79 108.62 19.11 Favored Pre-proline 0 N--CA 1.438 -1.048 0 N-CA-C 105.792 -1.929 . . . . 100.0 105.792 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.59 164.23 21.09 Favored 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.877 3.052 . . . . 100.0 113.205 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -66.22 -41.52 89.99 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 108.299 -1.0 . . . . 100.0 108.299 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -109.63 104.76 13.82 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 106.635 -1.617 . . . . 100.0 106.635 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.42 -41.33 73.06 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 124.461 1.104 . . . . 100.0 112.968 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 CA--C 1.489 -1.4 0 N-CA-C 115.502 1.668 . . . . 100.0 115.502 -177.086 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.643 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 8.7 t70 . . . . . 0 N--CA 1.442 -0.873 0 N-CA-C 107.948 -1.13 . . . . 100.0 107.948 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.44 -101.4 2.7 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 104.161 -3.576 . . . . 100.0 104.161 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -115.47 102.92 10.26 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 106.228 -1.768 . . . . 100.0 106.228 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 52.08 41.19 29.79 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 126.645 1.978 . . . . 100.0 113.299 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -65.57 -42.06 92.19 Favored 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 122.467 0.307 . . . . 100.0 111.779 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -73.99 150.71 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-O 121.295 0.569 . . . . 100.0 109.766 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 54.59 42.56 31.21 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.795 2.038 . . . . 100.0 112.195 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.6 -44.92 88.3 Favored Pre-proline 0 C--N 1.36 1.049 0 CA-C-O 117.057 -1.449 . . . . 100.0 109.986 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -71.89 157.84 54.08 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.206 1.937 . . . . 100.0 109.026 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.21 130.3 43.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.296 0.569 . . . . 100.0 109.828 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.4 tp -117.91 -55.69 2.24 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 106.329 -1.73 . . . . 100.0 106.329 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -130.92 153.86 48.72 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 107.409 -1.33 . . . . 100.0 107.409 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.3 mtp -62.88 -41.98 99.61 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 124.113 0.965 . . . . 100.0 112.148 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -83.32 129.96 35.03 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 105.769 -1.937 . . . . 100.0 105.769 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.2 t -102.62 109.18 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 CA-C-O 122.458 1.123 . . . . 100.0 108.452 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.8 t -133.27 139.85 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 N-CA-C 101.954 -3.35 . . . . 100.0 101.954 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.62 -42.06 95.75 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 109.107 -0.701 . . . . 100.0 109.107 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -87.25 84.81 7.18 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 108.901 -0.778 . . . . 100.0 108.901 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.9 m -124.58 131.25 53.48 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 105.881 -1.896 . . . . 100.0 105.881 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.261 1.678 0 N-CA-C 106.373 -1.714 . . . . 100.0 106.373 179.753 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.471 0 N-CA-C 108.681 -1.767 . . . . 100.0 108.681 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 53.97 51.87 13.92 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.215 1.406 . . . . 100.0 111.463 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 m 73.8 -54.32 0.68 Allowed 'General case' 0 C--N 1.365 1.279 0 C-N-CA 127.783 2.433 . . . . 100.0 110.26 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.15 167.53 20.09 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 124.947 1.299 . . . . 100.0 109.065 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.62 75.19 10.32 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 106.873 -1.529 . . . . 100.0 106.873 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.96 39.78 26.83 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.56 2.344 . . . . 100.0 114.045 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 73.5 p 53.45 36.55 23.46 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 127.463 2.305 . . . . 100.0 115.932 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -39.1 89.31 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 125.007 1.323 . . . . 100.0 112.012 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.71 -44.59 90.43 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 114.304 1.224 . . . . 100.0 114.304 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 55.06 37.46 28.95 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 115.91 1.818 . . . . 100.0 115.91 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.633 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.44 20.56 18.07 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 121.049 -1.032 . . . . 100.0 111.975 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.01 57.33 5.19 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.468 1.507 . . . . 100.0 114.301 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.865 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.84 124.95 61.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 122.123 0.963 . . . . 100.0 110.918 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.87 169.31 18.37 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.017 1.327 . . . . 100.0 107.504 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.464 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.69 -39.18 90.54 Favored 'General case' 0 N--CA 1.434 -1.237 0 C-N-CA 125.64 1.576 . . . . 100.0 109.723 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.05 -74.47 0.51 Allowed 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 107.947 -1.131 . . . . 100.0 107.947 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.67 -39.45 0.08 Allowed 'General case' 0 C--N 1.368 1.376 0 N-CA-C 115.769 1.766 . . . . 100.0 115.769 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.4 -175.21 4.6 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 116.276 1.954 . . . . 100.0 116.276 -175.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.3 p -71.7 163.24 28.14 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 118.702 -2.499 . . . . 100.0 111.17 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.55 -23.74 67.15 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 113.085 0.772 . . . . 100.0 113.085 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.47 -42.01 98.58 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 107.847 -1.168 . . . . 100.0 107.847 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.22 9.85 38.2 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 124.705 1.202 . . . . 100.0 112.197 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.83 -43.05 94.04 Favored Pre-proline 0 C--N 1.362 1.125 0 CA-C-O 115.803 -2.046 . . . . 100.0 111.902 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.17 -37.79 81.07 Favored 'Trans proline' 0 C--N 1.381 2.259 0 CA-C-N 122.788 2.031 . . . . 100.0 111.588 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 -45.12 90.94 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 124.319 1.047 . . . . 100.0 109.8 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.4 m -62.14 -42.02 98.83 Favored 'General case' 0 CA--C 1.5 -0.961 0 C-N-CA 124.769 1.228 . . . . 100.0 110.814 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.451 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.69 -44.6 93.21 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.718 0.807 . . . . 100.0 110.215 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.82 94.97 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 123.734 0.814 . . . . 100.0 112.25 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.77 -51.89 67.42 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 114.396 1.258 . . . . 100.0 114.396 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -99.64 -25.58 14.36 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 114.022 1.119 . . . . 100.0 114.022 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 74.12 -52.98 0.69 Allowed 'General case' 0 CA--C 1.505 -0.765 0 C-N-CA 126.325 1.85 . . . . 100.0 113.659 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.5 ttm105 -62.46 -65.38 0.7 Allowed 'General case' 0 C--N 1.363 1.173 0 CA-C-N 119.321 0.964 . . . . 100.0 109.907 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 72.9 m-80 47.99 44.23 18.52 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 116.063 1.875 . . . . 100.0 116.063 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.72 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.51 21.85 78.19 Favored Glycine 0 C--N 1.354 1.544 0 N-CA-C 112.035 -0.426 . . . . 100.0 112.035 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 76.2 m-85 56.81 41.24 28.35 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 127.34 2.256 . . . . 100.0 113.07 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -61.15 -45.75 93.36 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.673 1.989 . . . . 100.0 108.149 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.2 mt -94.07 114.7 26.91 Favored 'General case' 0 CA--C 1.496 -1.096 0 N-CA-C 104.697 -2.334 . . . . 100.0 104.697 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.68 -37.01 86.12 Favored 'General case' 0 N--CA 1.442 -0.875 0 C-N-CA 126.164 1.786 . . . . 100.0 112.453 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -60.22 -24.67 65.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 126.294 1.838 . . . . 100.0 115.092 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -60.44 -43.71 96.55 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.522 1.529 . . . . 100.0 111.916 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -67.42 137.19 55.72 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.864 0.84 . . . . 100.0 111.517 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.86 -42.25 99.68 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.971 1.708 . . . . 100.0 112.068 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -86.89 -1.76 58.07 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 123.881 0.872 . . . . 100.0 111.308 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.422 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 89.8 t90 75.52 -44.77 0.53 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 129.25 3.02 . . . . 100.0 109.954 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -87.4 107.45 15.08 Favored Pre-proline 0 N--CA 1.439 -1.013 0 N-CA-C 106.576 -1.639 . . . . 100.0 106.576 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 30.3 Cg_endo -81.99 165.03 17.53 Favored 'Trans proline' 0 N--CA 1.444 -1.436 0 C-N-CA 123.971 3.114 . . . . 100.0 112.628 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -65.48 -42.24 92.43 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 108.698 -0.853 . . . . 100.0 108.698 177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 12.1 tp10 -107.42 102.16 11.46 Favored 'General case' 0 C--N 1.362 1.138 0 N-CA-C 107.225 -1.398 . . . . 100.0 107.225 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.29 -40.76 74.09 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 115.245 -0.889 . . . . 100.0 113.169 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.784 ' C ' ' O2P' ' A' ' 51' ' ' TPO . 62.2 mt -66.24 145.8 55.35 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 114.994 1.479 . . . . 100.0 114.994 -177.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TPO . . . . . 1.356 ' N ' ' O2P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.72 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.2 t70 -67.24 134.09 50.98 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 108.758 -0.83 . . . . 100.0 108.758 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -106.27 -100.58 2.66 Favored Glycine 0 CA--C 1.49 -1.479 0 N-CA-C 104.891 -3.284 . . . . 100.0 104.891 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -114.96 102.27 9.8 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 107.512 -1.292 . . . . 100.0 107.512 178.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 51.59 40.76 27.83 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.023 2.129 . . . . 100.0 112.581 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -65.34 -42.44 92.89 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 122.647 0.379 . . . . 100.0 111.893 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.4 p -73.02 147.24 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-O 121.623 0.725 . . . . 100.0 110.231 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CD1' HD11 ' A' ' 62' ' ' LEU . 38.4 m-85 53.34 45.94 27.39 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 126.992 2.117 . . . . 100.0 111.653 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.55 -44.62 92.52 Favored Pre-proline 0 N--CA 1.44 -0.961 0 CA-C-O 116.979 -1.486 . . . . 100.0 109.807 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -69.32 150.0 70.36 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 121.921 1.747 . . . . 100.0 108.305 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -66.82 130.91 44.69 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 123.565 0.54 . . . . 100.0 111.062 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 58' ' ' PHE . 84.1 mt -116.39 -54.17 2.48 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 107.374 -1.343 . . . . 100.0 107.374 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -125.21 149.5 47.9 Favored 'General case' 0 N--CA 1.436 -1.143 0 C-N-CA 124.126 0.971 . . . . 100.0 108.755 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.0 mtm -63.64 -41.93 98.2 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.92 1.288 . . . . 100.0 110.379 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.76 128.47 34.81 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 105.483 -2.043 . . . . 100.0 105.483 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -96.64 110.68 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 CA-C-O 122.582 1.182 . . . . 100.0 107.934 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.1 t -128.04 132.76 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 1 N-CA-C 99.856 -4.127 . . . . 100.0 99.856 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.38 -42.35 96.19 Favored 'General case' 0 N--CA 1.439 -1.011 0 N-CA-C 109.113 -0.699 . . . . 100.0 109.113 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -95.16 98.53 10.7 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 106.913 -1.514 . . . . 100.0 106.913 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.8 m -132.62 140.31 48.15 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 105.038 -2.208 . . . . 100.0 105.038 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 . . . . . 0 C--O 1.26 1.654 0 N-CA-C 105.001 -2.222 . . . . 100.0 105.001 178.912 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.476 0 N-CA-C 108.647 -1.781 . . . . 100.0 108.647 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 54.01 51.82 13.97 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 125.151 1.38 . . . . 100.0 111.461 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.38 0.68 Allowed 'General case' 0 C--N 1.364 1.234 0 C-N-CA 127.797 2.439 . . . . 100.0 110.248 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.47 20.24 Favored 'General case' 0 N--CA 1.438 -1.072 0 C-N-CA 124.924 1.29 . . . . 100.0 109.091 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.59 75.3 10.3 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 106.852 -1.536 . . . . 100.0 106.852 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.8 39.9 26.57 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 127.558 2.343 . . . . 100.0 114.07 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 74.2 p 53.33 36.61 23.3 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 127.445 2.298 . . . . 100.0 115.952 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -66.23 -39.1 89.32 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 125.015 1.326 . . . . 100.0 112.05 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.81 -44.52 90.82 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 114.297 1.221 . . . . 100.0 114.297 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.03 37.48 28.98 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 115.976 1.843 . . . . 100.0 115.976 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.631 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.49 20.57 18.05 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.067 -1.021 . . . . 100.0 111.942 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.94 57.38 5.19 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 125.515 1.526 . . . . 100.0 114.257 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.875 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.86 124.98 61.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 CA-C-O 122.123 0.963 . . . . 100.0 110.881 179.148 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.4 t -163.92 169.31 18.29 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.436 -1.32 . . . . 100.0 107.436 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.72 -39.18 90.59 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 125.667 1.587 . . . . 100.0 109.661 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.1 t60 -92.05 -74.42 0.51 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 107.966 -1.124 . . . . 100.0 107.966 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.72 -39.48 0.07 Allowed 'General case' 0 C--N 1.368 1.372 0 N-CA-C 115.774 1.768 . . . . 100.0 115.774 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.38 -175.18 4.57 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 116.299 1.963 . . . . 100.0 116.299 -175.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.2 p -71.68 163.19 28.23 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 118.726 -2.484 . . . . 100.0 111.223 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.2 m-85 -62.54 -23.73 67.13 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 113.096 0.776 . . . . 100.0 113.096 178.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.49 -42.01 98.55 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 107.801 -1.185 . . . . 100.0 107.801 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.23 9.84 38.24 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 124.695 1.198 . . . . 100.0 112.194 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.482 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.0 t -59.92 -43.01 93.64 Favored Pre-proline 0 C--N 1.363 1.177 0 CA-C-O 115.749 -2.072 . . . . 100.0 111.852 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 -37.7 81.46 Favored 'Trans proline' 0 C--N 1.38 2.227 0 CA-C-N 122.815 2.041 . . . . 100.0 111.623 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.86 -45.19 90.58 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 124.324 1.05 . . . . 100.0 109.778 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.452 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.4 m -62.09 -42.02 98.78 Favored 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 124.751 1.221 . . . . 100.0 110.827 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.425 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.62 -44.73 93.08 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 123.739 0.816 . . . . 100.0 110.227 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.98 95.5 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 123.845 0.858 . . . . 100.0 112.217 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.72 -51.5 69.11 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 114.423 1.268 . . . . 100.0 114.423 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.545 HE21 ' HG2' ' A' ' 69' ' ' GLU . 42.7 tt0 -98.55 -24.52 15.09 Favored 'General case' 0 C--N 1.365 1.246 0 N-CA-C 113.284 0.846 . . . . 100.0 113.284 -177.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 75.58 -54.23 0.63 Allowed 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 126.46 1.904 . . . . 100.0 113.739 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -63.29 -64.7 0.83 Allowed 'General case' 0 C--N 1.365 1.245 0 CA-C-N 119.535 1.061 . . . . 100.0 110.45 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 73.2 m-80 46.11 46.63 12.96 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 116.045 1.869 . . . . 100.0 116.045 177.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.733 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.09 22.19 76.93 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 112.414 -0.274 . . . . 100.0 112.414 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 56.65 39.44 29.77 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 126.863 2.065 . . . . 100.0 113.49 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -62.89 -42.99 99.97 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 124.821 1.248 . . . . 100.0 107.738 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.8 mt -92.15 114.21 26.69 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 105.22 -2.141 . . . . 100.0 105.22 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.98 -36.79 85.52 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 125.111 1.364 . . . . 100.0 113.399 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.39 -29.25 63.92 Favored 'General case' 0 CA--C 1.5 -0.946 0 C-N-CA 126.468 1.907 . . . . 100.0 114.592 -177.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.86 -42.12 92.98 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.274 1.03 . . . . 100.0 112.086 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.38 136.05 47.57 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.804 0.812 . . . . 100.0 111.343 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.86 -39.68 94.77 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 125.073 1.349 . . . . 100.0 112.298 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.31 0.22 49.96 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 123.557 0.743 . . . . 100.0 112.248 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 75.76 -49.05 0.61 Allowed 'General case' 0 C--N 1.368 1.392 0 C-N-CA 126.423 1.889 . . . . 100.0 111.638 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -96.55 111.58 57.49 Favored Pre-proline 0 N--CA 1.435 -1.216 0 N-CA-C 106.672 -1.603 . . . . 100.0 106.672 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -81.28 170.74 14.52 Favored 'Trans proline' 0 C--N 1.364 1.343 0 C-N-CA 125.002 3.801 . . . . 100.0 113.063 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -62.1 -44.84 95.78 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.885 -0.783 . . . . 100.0 108.885 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -110.03 104.96 13.92 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 108.194 -1.039 . . . . 100.0 108.194 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.7 tp -70.34 -40.8 73.91 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 123.856 0.862 . . . . 100.0 111.534 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.0 mt -67.7 147.5 52.56 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 116.342 1.979 . . . . 100.0 116.342 -177.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TPO . . . . . 0.925 HG21 ' O1P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.733 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 16.4 t70 -70.87 135.52 48.08 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.097 -1.075 . . . . 100.0 108.097 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.77 -100.61 2.66 Favored Glycine 0 CA--C 1.487 -1.684 0 N-CA-C 104.641 -3.384 . . . . 100.0 104.641 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -118.31 101.16 7.98 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.671 -1.603 . . . . 100.0 106.671 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 52.82 40.62 30.99 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.779 2.031 . . . . 100.0 113.214 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -66.04 -40.77 91.27 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 116.175 -0.466 . . . . 100.0 111.221 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.42 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 8.2 p -71.8 144.89 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 C-N-CA 123.518 0.727 . . . . 100.0 110.278 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.338 94.1 m-85 52.6 48.06 23.35 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 126.012 1.725 . . . . 100.0 113.722 -178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.76 -45.94 92.92 Favored Pre-proline 0 C--N 1.357 0.925 0 CA-C-O 116.87 -1.538 . . . . 100.0 109.024 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.23 158.23 52.24 Favored 'Trans proline' 0 C--N 1.387 2.586 0 C-N-CA 122.099 1.866 . . . . 100.0 109.158 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.06 131.67 49.37 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 121.709 0.766 . . . . 100.0 110.167 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.4 tp -120.31 -58.78 1.83 Allowed 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 106.01 -1.848 . . . . 100.0 106.01 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -130.52 150.72 51.6 Favored 'General case' 0 N--CA 1.437 -1.087 0 N-CA-C 107.883 -1.154 . . . . 100.0 107.883 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.6 mmm -64.35 -40.87 96.72 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 124.231 1.012 . . . . 100.0 110.801 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -85.69 129.08 34.92 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 105.207 -2.146 . . . . 100.0 105.207 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.6 t -99.36 108.51 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 CA-C-O 122.424 1.107 . . . . 100.0 108.027 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.6 t -130.68 134.8 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 100.577 -3.86 . . . . 100.0 100.577 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -64.04 -42.35 97.09 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 109.017 -0.735 . . . . 100.0 109.017 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.545 ' HG2' HE21 ' A' ' 30' ' ' GLN . 73.3 mt-10 -86.7 81.16 8.31 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.549 0.69 . . . . 100.0 109.459 179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.4 m -129.78 131.05 46.09 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 105.914 -1.884 . . . . 100.0 105.914 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 C--O 1.258 1.548 0 N-CA-C 105.489 -2.041 . . . . 100.0 105.489 178.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.523 0 N-CA-C 108.649 -1.78 . . . . 100.0 108.649 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 53.91 51.92 13.89 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.188 1.395 . . . . 100.0 111.46 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.3 m 73.73 -54.35 0.68 Allowed 'General case' 0 C--N 1.366 1.285 0 C-N-CA 127.796 2.438 . . . . 100.0 110.255 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 167.51 20.1 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.945 1.298 . . . . 100.0 109.111 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.58 75.25 10.3 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.89 -1.522 . . . . 100.0 106.89 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.88 39.77 26.58 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 127.567 2.347 . . . . 100.0 114.089 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 74.2 p 53.42 36.61 23.52 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 127.469 2.308 . . . . 100.0 115.916 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -66.19 -39.14 89.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 125.061 1.344 . . . . 100.0 112.047 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.87 -44.4 91.06 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 114.304 1.224 . . . . 100.0 114.304 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 54.92 37.56 28.95 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 115.942 1.83 . . . . 100.0 115.942 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.626 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.47 20.53 18.1 Favored 'General case' 0 C--N 1.356 0.855 0 O-C-N 121.049 -1.032 . . . . 100.0 111.916 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.03 57.32 5.18 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.5 1.52 . . . . 100.0 114.279 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.863 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.82 124.92 61.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-O 122.087 0.946 . . . . 100.0 110.891 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.9 169.3 18.33 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 107.474 -1.306 . . . . 100.0 107.474 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.66 -39.2 90.51 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.647 1.579 . . . . 100.0 109.719 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.1 t60 -92.04 -74.46 0.51 Allowed 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 107.955 -1.128 . . . . 100.0 107.955 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.65 -39.46 0.08 Allowed 'General case' 0 C--N 1.368 1.381 0 N-CA-C 115.85 1.796 . . . . 100.0 115.85 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.42 -175.21 4.6 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 116.272 1.953 . . . . 100.0 116.272 -175.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.3 p -71.62 163.19 28.22 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 118.658 -2.526 . . . . 100.0 111.242 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.5 -23.74 67.11 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 113.117 0.784 . . . . 100.0 113.117 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.48 -42.05 98.58 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 107.83 -1.174 . . . . 100.0 107.83 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.21 9.84 38.23 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 124.704 1.202 . . . . 100.0 112.181 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.2 t -59.83 -43.05 94.07 Favored Pre-proline 0 C--N 1.362 1.151 0 CA-C-O 115.816 -2.04 . . . . 100.0 111.916 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.21 -37.69 81.4 Favored 'Trans proline' 0 C--N 1.381 2.239 0 CA-C-N 122.77 2.025 . . . . 100.0 111.604 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.87 -45.18 90.6 Favored 'General case' 0 C--N 1.36 1.065 0 C-N-CA 124.333 1.053 . . . . 100.0 109.755 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.14 -42.05 98.87 Favored 'General case' 0 CA--C 1.5 -0.956 0 C-N-CA 124.757 1.223 . . . . 100.0 110.806 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.425 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.56 -44.71 93.37 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 123.734 0.814 . . . . 100.0 110.219 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.96 95.39 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 123.841 0.856 . . . . 100.0 112.234 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.65 -51.53 68.98 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 114.433 1.271 . . . . 100.0 114.433 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.49 HE21 ' HG2' ' A' ' 69' ' ' GLU . 40.8 tt0 -100.56 -23.42 14.69 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 119.068 -1.053 . . . . 100.0 113.524 -177.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 74.56 -54.79 0.67 Allowed 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 125.506 1.522 . . . . 100.0 114.317 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.19 -64.57 0.85 Allowed 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.211 0.914 . . . . 100.0 109.742 -178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 74.3 m-80 47.91 45.03 18.85 Favored 'General case' 0 C--N 1.36 1.048 0 N-CA-C 115.894 1.813 . . . . 100.0 115.894 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.706 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.91 20.14 78.13 Favored Glycine 0 C--N 1.353 1.507 0 N-CA-C 111.638 -0.585 . . . . 100.0 111.638 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 55.43 42.6 29.82 Favored 'General case' 0 N--CA 1.438 -1.036 0 C-N-CA 127.008 2.123 . . . . 100.0 112.463 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -61.11 -45.87 92.91 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 128.691 2.796 . . . . 100.0 107.08 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -98.07 116.8 31.03 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 105.139 -2.171 . . . . 100.0 105.139 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.74 -36.26 83.72 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.635 1.574 . . . . 100.0 112.663 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -58.51 -27.26 64.32 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 125.934 1.694 . . . . 100.0 114.894 -177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -60.59 -42.41 96.69 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 123.403 0.681 . . . . 100.0 112.538 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -72.92 134.73 44.89 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 121.483 0.659 . . . . 100.0 110.678 -177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -63.18 -39.42 94.59 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 124.543 1.137 . . . . 100.0 112.413 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.68 -2.94 48.81 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.05 1.34 . . . . 100.0 111.783 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 75.39 -49.42 0.63 Allowed 'General case' 0 C--N 1.365 1.259 0 C-N-CA 128.316 2.647 . . . . 100.0 110.681 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -92.85 112.23 54.91 Favored Pre-proline 0 N--CA 1.437 -1.095 0 N-CA-C 107.269 -1.382 . . . . 100.0 107.269 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -82.72 172.15 11.41 Favored 'Trans proline' 0 C--N 1.363 1.329 0 C-N-CA 124.972 3.781 . . . . 100.0 112.36 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -62.91 -44.39 96.21 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 123.509 0.724 . . . . 100.0 109.311 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -109.14 104.31 13.46 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 107.628 -1.249 . . . . 100.0 107.628 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.57 -40.58 73.22 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.269 -0.878 . . . . 100.0 111.424 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.1 mt -64.09 146.13 54.73 Favored 'General case' 0 CA--C 1.49 -1.358 0 N-CA-C 115.717 1.747 . . . . 100.0 115.717 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.706 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.4 t70 -70.75 134.35 47.36 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.725 -0.842 . . . . 100.0 108.725 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.94 -98.85 2.56 Favored Glycine 0 CA--C 1.49 -1.531 0 N-CA-C 105.065 -3.214 . . . . 100.0 105.065 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -118.48 102.8 9.19 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 106.916 -1.513 . . . . 100.0 106.916 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 52.93 38.37 26.85 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 126.972 2.109 . . . . 100.0 112.554 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -65.63 -42.02 91.98 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 112.491 0.552 . . . . 100.0 112.491 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.404 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 6.6 p -72.82 151.77 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.187 0 CA-C-O 121.38 0.61 . . . . 100.0 110.686 -179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 53.77 47.23 24.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 127.407 2.283 . . . . 100.0 110.335 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.97 -46.53 96.71 Favored Pre-proline 0 C--N 1.36 1.029 0 CA-C-O 116.523 -1.703 . . . . 100.0 109.414 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.92 146.98 54.39 Favored 'Trans proline' 0 C--N 1.383 2.356 0 CA-C-N 122.315 1.862 . . . . 100.0 107.843 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -71.42 131.87 43.97 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 112.618 0.599 . . . . 100.0 112.618 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.8 mt -115.32 -49.72 2.76 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 107.782 -1.192 . . . . 100.0 107.782 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -120.87 145.35 47.73 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 108.326 -0.99 . . . . 100.0 108.326 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.9 mtp -64.18 -41.99 96.88 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.384 1.074 . . . . 100.0 110.462 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -83.51 131.28 35.01 Favored 'General case' 0 CA--C 1.494 -1.204 0 N-CA-C 106.746 -1.576 . . . . 100.0 106.746 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.33 109.85 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 108.235 -1.024 . . . . 100.0 108.235 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.7 t -130.2 133.37 64.25 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.888 1 N-CA-C 100.045 -4.057 . . . . 100.0 100.045 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -64.72 -40.86 96.05 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 108.53 -0.915 . . . . 100.0 108.53 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.49 ' HG2' HE21 ' A' ' 30' ' ' GLN . 83.1 mt-10 -85.19 90.79 7.97 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.338 -1.356 . . . . 100.0 107.338 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.5 m -113.09 127.89 56.34 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 104.338 -2.467 . . . . 100.0 104.338 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.445 HE22 ' HB3' ' A' ' 69' ' ' GLU . 23.2 mp0 . . . . . 0 C--O 1.261 1.697 0 N-CA-C 107.354 -1.35 . . . . 100.0 107.354 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.497 0 N-CA-C 108.632 -1.787 . . . . 100.0 108.632 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 54.02 51.84 13.92 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 125.216 1.406 . . . . 100.0 111.444 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.35 0.68 Allowed 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.818 2.447 . . . . 100.0 110.272 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 167.5 20.14 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 124.935 1.294 . . . . 100.0 109.095 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.54 75.18 10.3 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.899 -1.519 . . . . 100.0 106.899 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.97 39.79 26.88 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 127.539 2.336 . . . . 100.0 114.032 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 74.3 p 53.31 36.63 23.3 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 127.491 2.316 . . . . 100.0 116.001 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.24 -39.1 89.3 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.038 1.335 . . . . 100.0 111.998 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.79 -44.55 90.77 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.285 1.217 . . . . 100.0 114.285 -175.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 54.99 37.52 29.04 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 115.964 1.838 . . . . 100.0 115.964 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.629 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.47 20.54 18.08 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 121.081 -1.012 . . . . 100.0 111.963 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.05 57.27 5.21 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.509 1.524 . . . . 100.0 114.275 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.864 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.77 124.9 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-O 122.055 0.931 . . . . 100.0 110.937 179.201 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.91 169.26 18.37 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.467 -1.308 . . . . 100.0 107.467 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.65 -39.23 90.63 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 125.641 1.576 . . . . 100.0 109.642 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 68.9 t60 -91.99 -74.45 0.51 Allowed 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 107.973 -1.121 . . . . 100.0 107.973 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.7 -39.51 0.07 Allowed 'General case' 0 C--N 1.368 1.383 0 N-CA-C 115.797 1.777 . . . . 100.0 115.797 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.36 -175.18 4.57 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 116.323 1.971 . . . . 100.0 116.323 -175.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.2 p -71.69 163.18 28.26 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 118.681 -2.512 . . . . 100.0 111.201 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.487 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.5 m-85 -62.54 -23.63 67.08 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 113.142 0.793 . . . . 100.0 113.142 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.54 -42.02 98.44 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 107.814 -1.18 . . . . 100.0 107.814 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.25 9.88 38.15 Favored 'General case' 0 N--CA 1.439 -0.985 0 C-N-CA 124.718 1.207 . . . . 100.0 112.182 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.87 -43.06 93.94 Favored Pre-proline 0 C--N 1.362 1.124 0 CA-C-O 115.769 -2.062 . . . . 100.0 111.867 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.24 -37.69 81.15 Favored 'Trans proline' 0 C--N 1.38 2.219 0 CA-C-N 122.781 2.029 . . . . 100.0 111.565 177.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.89 -45.15 90.67 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 124.311 1.044 . . . . 100.0 109.743 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.14 -42.03 98.84 Favored 'General case' 0 CA--C 1.5 -0.975 0 C-N-CA 124.768 1.227 . . . . 100.0 110.767 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -63.64 -44.73 92.98 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.776 0.83 . . . . 100.0 110.183 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.94 95.37 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 123.811 0.845 . . . . 100.0 112.239 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.63 -49.65 76.67 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 114.41 1.263 . . . . 100.0 114.41 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -104.97 -22.76 13.07 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 116.255 1.946 . . . . 100.0 116.255 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.261 89.4 m-85 72.68 -55.57 0.67 Allowed 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 116.26 1.948 . . . . 100.0 116.26 -178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -64.34 -62.81 1.37 Allowed 'General case' 0 C--N 1.361 1.075 0 CA-C-N 118.998 0.817 . . . . 100.0 109.713 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . 0.262 75.5 m-80 46.02 46.82 12.74 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 116.749 2.129 . . . . 100.0 116.749 177.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.72 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.46 19.31 79.47 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 112.075 -0.41 . . . . 100.0 112.075 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.253 90.8 m-85 56.11 41.82 29.08 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 127.088 2.155 . . . . 100.0 113.911 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -61.52 -45.2 95.18 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 126.506 1.922 . . . . 100.0 108.006 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.07 113.84 25.89 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 104.424 -2.436 . . . . 100.0 104.424 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.94 -26.24 65.86 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.923 1.289 . . . . 100.0 111.914 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.44 -36.2 73.28 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 128.718 2.807 . . . . 100.0 112.465 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -59.97 -41.26 91.59 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 124.358 1.063 . . . . 100.0 112.788 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.02 133.74 48.53 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 121.748 0.785 . . . . 100.0 109.951 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -63.09 -39.52 94.94 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 125.096 1.358 . . . . 100.0 112.28 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -90.28 7.79 36.57 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 123.716 0.806 . . . . 100.0 112.931 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 74.57 -53.01 0.68 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 126.602 1.961 . . . . 100.0 112.653 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -95.26 112.15 57.58 Favored Pre-proline 0 C--N 1.358 0.957 0 CA-C-N 119.469 1.031 . . . . 100.0 110.599 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -81.51 171.77 13.16 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 125.012 3.808 . . . . 100.0 112.081 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.84 -43.41 98.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.91 0.756 . . . . 100.0 110.691 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -108.92 102.35 11.37 Favored 'General case' 0 CA--C 1.494 -1.198 0 N-CA-C 107.134 -1.432 . . . . 100.0 107.134 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -70.57 -40.44 73.32 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.461 -1.245 . . . . 100.0 112.435 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt -66.6 145.67 55.34 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 114.934 1.457 . . . . 100.0 114.934 -178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.72 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 12.6 t70 -69.52 133.13 47.3 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 108.108 -1.071 . . . . 100.0 108.108 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.52 -100.24 2.64 Favored Glycine 0 CA--C 1.485 -1.786 0 N-CA-C 104.187 -3.565 . . . . 100.0 104.187 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -116.06 103.64 10.77 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 107.351 -1.351 . . . . 100.0 107.351 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 51.61 40.74 27.83 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 126.749 2.019 . . . . 100.0 113.368 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -65.74 -41.65 91.94 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 122.814 0.446 . . . . 100.0 111.71 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 9.0 p -73.59 151.53 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.145 0 C-N-CA 123.623 0.769 . . . . 100.0 109.726 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 55.06 43.86 29.0 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 126.536 1.934 . . . . 100.0 111.157 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.21 -46.26 95.62 Favored Pre-proline 0 C--N 1.361 1.105 0 CA-C-O 116.969 -1.491 . . . . 100.0 111.102 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -72.77 159.36 48.62 Favored 'Trans proline' 0 C--N 1.379 2.139 0 CA-C-N 122.114 1.791 . . . . 100.0 109.449 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -64.08 131.35 47.25 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 121.222 0.534 . . . . 100.0 111.761 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.6 tp -115.54 -59.05 2.05 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 104.295 -2.483 . . . . 100.0 104.295 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -133.51 153.49 51.6 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 123.922 0.889 . . . . 100.0 108.676 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 87.0 mtp -64.13 -41.46 97.21 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 123.447 0.699 . . . . 100.0 111.798 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -81.24 128.33 33.67 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 105.446 -2.057 . . . . 100.0 105.446 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.3 t -99.83 111.45 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-O 122.772 1.272 . . . . 100.0 109.284 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.06 134.51 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 N-CA-C 100.88 -3.748 . . . . 100.0 100.88 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.18 -41.75 94.29 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.691 -0.855 . . . . 100.0 108.691 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -86.49 85.01 7.3 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.255 -1.017 . . . . 100.0 108.255 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -125.01 134.7 52.48 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 106.381 -1.711 . . . . 100.0 106.381 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 . . . . . 0 C--O 1.26 1.657 0 CA-C-N 114.808 -1.087 . . . . 100.0 108.796 179.673 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.479 0 N-CA-C 108.654 -1.778 . . . . 100.0 108.654 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t 53.96 51.84 13.98 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.174 1.39 . . . . 100.0 111.468 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.7 m 73.88 -54.39 0.68 Allowed 'General case' 0 C--N 1.365 1.262 0 C-N-CA 127.776 2.43 . . . . 100.0 110.264 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.17 167.53 20.1 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 124.907 1.283 . . . . 100.0 109.114 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.6 75.27 10.31 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 106.851 -1.537 . . . . 100.0 106.851 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.89 39.84 26.73 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 127.549 2.339 . . . . 100.0 114.043 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.262 73.7 p 53.38 36.56 23.3 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 127.464 2.306 . . . . 100.0 115.944 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -66.22 -39.08 89.33 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.035 1.334 . . . . 100.0 112.078 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.74 -44.52 90.52 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.367 1.247 . . . . 100.0 114.367 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 54.98 37.53 29.02 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 115.941 1.83 . . . . 100.0 115.941 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.631 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.43 20.47 18.18 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 121.029 -1.044 . . . . 100.0 111.962 179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.09 57.26 5.19 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.456 1.502 . . . . 100.0 114.259 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.868 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.78 124.95 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-O 122.101 0.953 . . . . 100.0 110.911 179.18 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.9 169.33 18.29 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 107.46 -1.311 . . . . 100.0 107.46 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.18 90.54 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.642 1.577 . . . . 100.0 109.716 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.04 -74.47 0.51 Allowed 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.943 -1.132 . . . . 100.0 107.943 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -156.7 -39.44 0.07 Allowed 'General case' 0 C--N 1.368 1.382 0 N-CA-C 115.799 1.777 . . . . 100.0 115.799 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.31 -175.15 4.53 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 116.343 1.979 . . . . 100.0 116.343 -175.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.3 p -71.67 163.22 28.17 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 118.742 -2.474 . . . . 100.0 111.18 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.478 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.1 m-85 -62.6 -23.69 67.17 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 113.09 0.774 . . . . 100.0 113.09 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.53 -41.99 98.45 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 107.785 -1.191 . . . . 100.0 107.785 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.22 9.84 38.23 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 124.746 1.218 . . . . 100.0 112.219 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.478 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.84 -43.03 93.99 Favored Pre-proline 0 C--N 1.362 1.138 0 CA-C-O 115.827 -2.035 . . . . 100.0 111.93 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.19 -37.76 81.11 Favored 'Trans proline' 0 C--N 1.381 2.252 0 CA-C-N 122.79 2.032 . . . . 100.0 111.603 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.83 -45.16 90.81 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 124.292 1.037 . . . . 100.0 109.796 178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.09 -42.08 98.85 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 124.777 1.231 . . . . 100.0 110.786 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.426 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.66 -44.65 93.17 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 123.735 0.814 . . . . 100.0 110.189 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.0 95.51 Favored 'General case' 0 N--CA 1.437 -1.1 0 C-N-CA 123.852 0.861 . . . . 100.0 112.251 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.71 -48.4 81.95 Favored 'General case' 0 CA--C 1.494 -1.19 0 N-CA-C 114.436 1.273 . . . . 100.0 114.436 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -105.02 -21.75 13.23 Favored 'General case' 0 C--N 1.366 1.289 0 N-CA-C 113.913 1.079 . . . . 100.0 113.913 -178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.289 91.4 m-85 74.38 -54.58 0.67 Allowed 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 116.239 1.94 . . . . 100.0 116.239 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -66.69 -62.53 1.4 Allowed 'General case' 0 C--N 1.36 1.055 0 CA-C-N 119.431 1.014 . . . . 100.0 110.479 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.426 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 72.6 m-80 47.81 45.24 18.49 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 114.883 1.438 . . . . 100.0 114.883 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.662 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 73.12 23.32 77.91 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-O 119.927 -0.374 . . . . 100.0 112.29 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 95.8 m-85 56.42 41.51 28.79 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.258 1.823 . . . . 100.0 112.974 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -61.07 -46.15 91.83 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.957 2.103 . . . . 100.0 106.936 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.3 mt -96.98 118.03 32.49 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 105.01 -2.219 . . . . 100.0 105.01 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.48 -24.11 64.65 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.968 1.307 . . . . 100.0 111.676 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -57.9 -35.66 71.35 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 128.756 2.822 . . . . 100.0 112.209 -178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.97 -43.31 91.34 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.266 1.426 . . . . 100.0 113.036 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.52 136.37 49.32 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 121.336 0.588 . . . . 100.0 110.543 -178.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -62.8 -41.08 99.13 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 124.492 1.117 . . . . 100.0 112.455 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -88.95 4.13 49.14 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 123.331 0.652 . . . . 100.0 112.008 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.7 t90 74.06 -45.02 0.58 Allowed 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.969 2.508 . . . . 100.0 112.61 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -91.62 109.28 35.43 Favored Pre-proline 0 C--N 1.359 1.003 0 N-CA-C 106.338 -1.727 . . . . 100.0 106.338 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -81.59 168.19 16.38 Favored 'Trans proline' 0 C--N 1.365 1.446 0 C-N-CA 124.813 3.675 . . . . 100.0 114.608 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -64.33 -44.49 91.34 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 124.166 0.916 . . . . 100.0 109.638 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 81.4 mm-40 -109.27 101.43 10.44 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 105.275 -2.12 . . . . 100.0 105.275 178.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.7 tp -70.1 -39.95 75.23 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.813 1.245 . . . . 100.0 112.52 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.688 ' C ' ' O3P' ' A' ' 51' ' ' TPO . 64.3 mt -63.19 144.05 57.26 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 115.782 1.771 . . . . 100.0 115.782 -178.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TPO . . . . . 1.285 ' N ' ' O3P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.662 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 14.7 t70 -70.78 133.2 46.35 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 108.252 -1.018 . . . . 100.0 108.252 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.42 -98.8 2.57 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 104.18 -3.568 . . . . 100.0 104.18 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -115.78 103.53 10.75 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 105.983 -1.858 . . . . 100.0 105.983 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 51.79 41.01 28.91 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.725 1.61 . . . . 100.0 114.419 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -67.18 -41.69 85.48 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.395 -0.816 . . . . 100.0 111.896 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.0 150.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.882 0 C-N-CA 123.786 0.834 . . . . 100.0 109.912 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 54.13 47.48 23.12 Favored 'General case' 0 C--N 1.361 1.079 0 C-N-CA 125.452 1.501 . . . . 100.0 111.19 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.14 -45.02 95.78 Favored Pre-proline 0 N--CA 1.44 -0.958 0 CA-C-O 117.19 -1.386 . . . . 100.0 109.713 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -71.89 156.83 56.07 Favored 'Trans proline' 0 C--N 1.383 2.351 0 C-N-CA 121.906 1.737 . . . . 100.0 109.077 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.06 130.92 44.69 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 109.226 -0.657 . . . . 100.0 109.226 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.3 tp -119.63 -54.95 2.14 Favored 'General case' 0 N--CA 1.432 -1.36 0 N-CA-C 106.925 -1.509 . . . . 100.0 106.925 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -128.22 154.92 45.31 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 108.207 -1.035 . . . . 100.0 108.207 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 90.3 mtp -63.0 -42.83 99.95 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 124.709 1.203 . . . . 100.0 111.232 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -88.69 129.93 35.42 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 105.768 -1.938 . . . . 100.0 105.768 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.94 107.18 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.298 0 N-CA-C 106.269 -1.752 . . . . 100.0 106.269 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.04 135.56 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 N-CA-C 100.477 -3.898 . . . . 100.0 100.477 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -65.27 -41.98 93.68 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.008 -1.108 . . . . 100.0 108.008 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -86.14 89.35 7.8 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 122.002 0.906 . . . . 100.0 108.87 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -130.64 138.9 50.31 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 103.488 -2.782 . . . . 100.0 103.488 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.261 1.676 0 N-CA-C 105.609 -1.996 . . . . 100.0 105.609 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.517 0 N-CA-C 108.647 -1.781 . . . . 100.0 108.647 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t 53.98 51.83 13.98 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.2 1.4 . . . . 100.0 111.506 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m 73.81 -54.36 0.68 Allowed 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.833 2.453 . . . . 100.0 110.248 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.11 167.52 20.07 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.896 1.278 . . . . 100.0 109.114 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.55 75.19 10.3 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.898 -1.519 . . . . 100.0 106.898 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.88 39.81 26.63 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.566 2.346 . . . . 100.0 114.084 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 72.7 p 53.38 36.62 23.45 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 127.486 2.314 . . . . 100.0 115.962 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -66.25 -39.08 89.26 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.029 1.332 . . . . 100.0 111.999 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.82 -44.47 90.87 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 114.33 1.233 . . . . 100.0 114.33 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 54.99 37.51 29.0 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 115.911 1.819 . . . . 100.0 115.911 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.626 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.42 20.49 18.16 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 121.049 -1.032 . . . . 100.0 111.982 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 55.97 57.37 5.17 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.487 1.515 . . . . 100.0 114.3 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.87 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.88 125.01 61.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.848 0 CA-C-O 122.126 0.965 . . . . 100.0 110.866 179.197 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.98 169.24 18.29 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 107.459 -1.311 . . . . 100.0 107.459 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.68 -39.13 90.35 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 125.632 1.573 . . . . 100.0 109.704 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.08 -74.36 0.52 Allowed 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 108.021 -1.103 . . . . 100.0 108.021 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -156.73 -39.53 0.07 Allowed 'General case' 0 C--N 1.367 1.37 0 N-CA-C 115.811 1.782 . . . . 100.0 115.811 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.32 -175.14 4.52 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 116.365 1.987 . . . . 100.0 116.365 -175.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.1 p -71.74 163.2 28.23 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 118.718 -2.489 . . . . 100.0 111.167 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.5 -23.75 67.11 Favored 'General case' 0 C--N 1.359 0.989 0 N-CA-C 113.102 0.778 . . . . 100.0 113.102 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.45 -42.03 98.65 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 107.845 -1.169 . . . . 100.0 107.845 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -95.24 9.85 38.22 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.706 1.203 . . . . 100.0 112.167 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.483 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.83 -43.05 94.05 Favored Pre-proline 0 C--N 1.362 1.142 0 CA-C-O 115.798 -2.049 . . . . 100.0 111.933 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.18 -37.73 81.43 Favored 'Trans proline' 0 C--N 1.38 2.229 0 CA-C-N 122.782 2.029 . . . . 100.0 111.554 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.91 -45.2 90.37 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.301 1.04 . . . . 100.0 109.706 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.08 -42.06 98.82 Favored 'General case' 0 CA--C 1.5 -0.963 0 C-N-CA 124.787 1.235 . . . . 100.0 110.777 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.416 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.59 -44.76 93.1 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 123.765 0.826 . . . . 100.0 110.183 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.85 -39.94 95.4 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 123.753 0.821 . . . . 100.0 112.286 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.7 -50.93 71.5 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 114.409 1.263 . . . . 100.0 114.409 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -101.49 -23.62 14.29 Favored 'General case' 0 C--N 1.366 1.316 0 N-CA-C 113.756 1.021 . . . . 100.0 113.756 -176.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 74.62 -54.93 0.66 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 126.539 1.936 . . . . 100.0 114.264 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -65.55 -62.41 1.53 Allowed 'General case' 0 C--N 1.366 1.291 0 CA-C-N 119.715 1.143 . . . . 100.0 110.97 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 65.8 m-80 48.64 44.61 21.33 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 115.744 1.757 . . . . 100.0 115.744 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.627 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.91 20.6 79.38 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.144 -0.782 . . . . 100.0 111.144 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 55.62 41.79 30.21 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 127.307 2.243 . . . . 100.0 113.753 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -60.54 -46.02 91.73 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 127.57 2.348 . . . . 100.0 108.302 177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.66 113.21 24.9 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 104.396 -2.446 . . . . 100.0 104.396 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.18 -34.96 79.62 Favored 'General case' 0 CA--C 1.499 -1.001 0 C-N-CA 125.643 1.577 . . . . 100.0 112.919 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -59.1 -25.32 63.71 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.778 2.031 . . . . 100.0 113.399 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.5 -42.44 96.37 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.26 1.024 . . . . 100.0 111.489 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.91 134.34 44.75 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.825 0.821 . . . . 100.0 110.799 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.44 -39.03 93.39 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 125.139 1.376 . . . . 100.0 112.41 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -86.34 2.81 46.08 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.999 0.92 . . . . 100.0 112.18 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 75.97 -49.74 0.6 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.117 2.567 . . . . 100.0 111.161 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -96.95 111.25 57.15 Favored Pre-proline 0 N--CA 1.438 -1.032 0 CA-C-N 118.945 0.793 . . . . 100.0 109.775 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -82.52 173.91 10.18 Favored 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 124.876 3.717 . . . . 100.0 112.068 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.36 -43.56 98.54 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 123.985 0.914 . . . . 100.0 111.037 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -107.41 101.91 11.23 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.908 -1.515 . . . . 100.0 106.908 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.85 -39.52 72.89 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 112.939 0.718 . . . . 100.0 112.939 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -63.05 141.76 58.64 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 125.474 1.51 . . . . 100.0 113.97 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TPO . . . . . 0.906 HG21 ' O1P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.627 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 11.5 t70 -68.91 132.8 47.31 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-O 121.543 0.687 . . . . 100.0 109.754 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.49 -99.19 2.56 Favored Glycine 0 CA--C 1.487 -1.662 0 N-CA-C 104.014 -3.634 . . . . 100.0 104.014 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -118.32 102.15 8.74 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 107.433 -1.321 . . . . 100.0 107.433 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 52.77 40.22 30.11 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 126.546 1.939 . . . . 100.0 112.642 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.77 -41.14 92.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 122.659 0.384 . . . . 100.0 111.67 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.27 150.35 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 123.166 0.586 . . . . 100.0 109.432 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 55.07 47.17 22.57 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.957 1.703 . . . . 100.0 112.363 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.95 -47.81 94.46 Favored Pre-proline 0 C--N 1.359 0.99 0 CA-C-O 116.805 -1.569 . . . . 100.0 109.912 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.87 155.85 53.08 Favored 'Trans proline' 0 C--N 1.379 2.184 0 CA-C-N 122.277 1.849 . . . . 100.0 109.166 176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -67.44 131.58 45.96 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 121.428 0.632 . . . . 100.0 110.485 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.4 tp -115.56 -55.92 2.39 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 106.384 -1.71 . . . . 100.0 106.384 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -129.15 151.0 50.29 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 107.43 -1.322 . . . . 100.0 107.43 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.7 mmm -64.78 -40.21 94.87 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 123.616 0.766 . . . . 100.0 111.298 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -81.26 124.79 29.61 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 105.006 -2.22 . . . . 100.0 105.006 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.6 109.55 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 108.029 -1.1 . . . . 100.0 108.029 -178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.04 137.09 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 100.739 -3.8 . . . . 100.0 100.739 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -64.9 -42.01 95.11 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.625 -0.88 . . . . 100.0 108.625 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -85.68 84.73 7.5 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.148 -0.686 . . . . 100.0 109.148 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.6 m -125.03 134.26 52.62 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 105.246 -2.131 . . . . 100.0 105.246 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 . . . . . 0 C--O 1.261 1.7 0 N-CA-C 104.683 -2.34 . . . . 100.0 104.683 178.943 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.495 0 N-CA-C 108.622 -1.791 . . . . 100.0 108.622 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 54.02 51.8 13.99 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.223 1.409 . . . . 100.0 111.492 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.81 -54.32 0.68 Allowed 'General case' 0 C--N 1.366 1.284 0 C-N-CA 127.8 2.44 . . . . 100.0 110.253 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.54 20.11 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 124.938 1.295 . . . . 100.0 109.078 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.58 75.17 10.31 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 106.849 -1.537 . . . . 100.0 106.849 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.93 39.85 26.9 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 127.576 2.351 . . . . 100.0 114.005 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 74.7 p 53.37 36.6 23.37 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 127.475 2.31 . . . . 100.0 115.93 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -39.11 89.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.044 1.338 . . . . 100.0 112.018 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.83 -44.5 90.93 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 114.289 1.218 . . . . 100.0 114.289 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.0 37.51 29.03 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 115.967 1.839 . . . . 100.0 115.967 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.633 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.45 20.47 18.17 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 121.012 -1.055 . . . . 100.0 111.937 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.05 57.3 5.18 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.499 1.52 . . . . 100.0 114.298 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.857 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.8 124.9 61.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-O 122.078 0.942 . . . . 100.0 110.947 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.2 t -163.86 169.29 18.41 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 124.982 1.313 . . . . 100.0 107.46 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.16 90.5 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 125.638 1.575 . . . . 100.0 109.726 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.04 -74.4 0.51 Allowed 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 108.012 -1.107 . . . . 100.0 108.012 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.4 p -156.71 -39.48 0.07 Allowed 'General case' 0 C--N 1.367 1.366 0 N-CA-C 115.821 1.786 . . . . 100.0 115.821 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.35 -175.16 4.55 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 116.368 1.988 . . . . 100.0 116.368 -175.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 79.6 p -71.69 163.24 28.15 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 118.72 -2.487 . . . . 100.0 111.232 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.487 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.57 -23.7 67.15 Favored 'General case' 0 C--N 1.358 0.97 0 N-CA-C 113.118 0.784 . . . . 100.0 113.118 178.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.5 -42.05 98.53 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.8 -1.185 . . . . 100.0 107.8 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.19 9.89 38.0 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.684 1.194 . . . . 100.0 112.223 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.85 -43.07 94.01 Favored Pre-proline 0 C--N 1.362 1.134 0 CA-C-O 115.845 -2.026 . . . . 100.0 111.922 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.14 -37.77 81.47 Favored 'Trans proline' 0 C--N 1.381 2.272 0 CA-C-N 122.748 2.017 . . . . 100.0 111.619 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 -45.12 90.95 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.27 1.028 . . . . 100.0 109.812 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.1 m -62.16 -42.02 98.87 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.74 1.216 . . . . 100.0 110.747 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 t -63.63 -44.68 93.18 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 123.76 0.824 . . . . 100.0 110.193 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.95 -39.87 95.13 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 123.746 0.818 . . . . 100.0 112.274 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.73 -51.24 70.18 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 114.38 1.252 . . . . 100.0 114.38 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -100.41 -26.32 13.91 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 119.078 -1.049 . . . . 100.0 113.831 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 74.82 -52.99 0.68 Allowed 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 125.728 1.611 . . . . 100.0 113.571 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -63.87 -63.33 1.19 Allowed 'General case' 0 C--N 1.363 1.169 0 CA-C-N 119.582 1.083 . . . . 100.0 110.374 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 49.05 43.82 22.39 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.459 1.504 . . . . 100.0 114.678 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.658 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.27 21.92 76.97 Favored Glycine 0 C--N 1.355 1.603 0 O-C-N 122.078 -0.389 . . . . 100.0 112.151 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 95.2 m-85 57.06 39.08 29.44 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.737 2.015 . . . . 100.0 112.913 -178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -62.31 -43.82 97.95 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.631 1.572 . . . . 100.0 107.975 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.4 mt -92.77 114.53 27.11 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 104.896 -2.261 . . . . 100.0 104.896 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.64 -36.48 84.41 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.755 1.622 . . . . 100.0 112.868 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.54 -23.44 64.59 Favored 'General case' 0 CA--C 1.504 -0.825 0 C-N-CA 126.142 1.777 . . . . 100.0 115.082 -177.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -60.12 -43.77 95.37 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.888 1.275 . . . . 100.0 111.678 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.52 136.37 45.86 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 121.701 0.763 . . . . 100.0 110.815 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.55 -39.71 95.13 Favored 'General case' 0 CA--C 1.503 -0.859 0 C-N-CA 124.72 1.208 . . . . 100.0 112.62 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -85.84 -1.43 57.25 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.525 0.73 . . . . 100.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.425 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 92.3 t90 73.81 -40.24 0.45 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 129.06 2.944 . . . . 100.0 112.116 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -91.29 107.14 19.33 Favored Pre-proline 0 N--CA 1.438 -1.066 0 N-CA-C 105.382 -2.081 . . . . 100.0 105.382 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 27.4 Cg_endo -81.56 168.02 16.56 Favored 'Trans proline' 0 N--CA 1.444 -1.384 0 C-N-CA 124.531 3.487 . . . . 100.0 114.341 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -63.93 -44.7 92.09 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 124.631 1.173 . . . . 100.0 109.296 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 67.8 mm-40 -111.34 105.31 13.91 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 105.501 -2.037 . . . . 100.0 105.501 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.0 -41.5 74.27 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 113.411 0.893 . . . . 100.0 113.411 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -68.77 148.07 50.86 Favored 'General case' 0 CA--C 1.489 -1.404 0 N-CA-C 116.146 1.906 . . . . 100.0 116.146 -176.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TPO . . . . . 0.916 HG21 ' O1P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.658 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 19.6 t70 -71.12 133.55 46.31 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 107.609 -1.256 . . . . 100.0 107.609 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.5 -98.97 2.5 Favored Glycine 0 CA--C 1.484 -1.879 0 N-CA-C 104.048 -3.621 . . . . 100.0 104.048 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -119.06 102.24 8.6 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 106.871 -1.529 . . . . 100.0 106.871 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 52.5 39.03 27.1 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 127.244 2.218 . . . . 100.0 113.009 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.29 -41.18 90.17 Favored 'General case' 0 CA--C 1.502 -0.888 0 C-N-CA 123.33 0.652 . . . . 100.0 111.503 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.8 p -73.03 147.16 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 C-N-CA 123.48 0.712 . . . . 100.0 110.227 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.42 ' CD1' HD11 ' A' ' 62' ' ' LEU . 49.6 m-85 53.51 48.45 21.73 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 126.867 2.067 . . . . 100.0 112.142 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.26 -44.55 93.66 Favored Pre-proline 0 C--N 1.357 0.91 0 CA-C-O 116.698 -1.62 . . . . 100.0 109.208 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.87 151.21 78.54 Favored 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.007 1.805 . . . . 100.0 109.252 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.31 132.22 47.29 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.647 0.592 . . . . 100.0 110.436 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD11 ' CD1' ' A' ' 58' ' ' PHE . 85.0 mt -114.82 -55.11 2.52 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.605 -1.628 . . . . 100.0 106.605 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -130.99 153.4 49.26 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 107.358 -1.349 . . . . 100.0 107.358 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.3 mtp -63.37 -42.09 98.85 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.421 1.088 . . . . 100.0 111.3 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -82.97 130.1 35.1 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 106.483 -1.673 . . . . 100.0 106.483 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.54 108.75 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.243 0 CA-C-O 122.47 1.129 . . . . 100.0 108.435 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.0 t -128.48 133.4 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 1 N-CA-C 100.104 -4.036 . . . . 100.0 100.104 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -64.88 -41.26 95.78 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.338 -0.986 . . . . 100.0 108.338 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -86.54 88.27 7.61 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.523 -0.917 . . . . 100.0 108.523 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.3 m -122.56 132.6 54.38 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 104.397 -2.445 . . . . 100.0 104.397 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 . . . . . 0 C--O 1.263 1.765 0 N-CA-C 106.522 -1.659 . . . . 100.0 106.522 179.289 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.525 0 N-CA-C 108.664 -1.774 . . . . 100.0 108.664 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 53.94 51.86 13.97 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 125.223 1.409 . . . . 100.0 111.45 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.2 m 73.85 -54.41 0.68 Allowed 'General case' 0 C--N 1.365 1.273 0 C-N-CA 127.807 2.443 . . . . 100.0 110.204 -179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.07 167.51 20.05 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 124.895 1.278 . . . . 100.0 109.135 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.56 75.21 10.3 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 106.843 -1.54 . . . . 100.0 106.843 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.93 39.77 26.72 Favored 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.569 2.348 . . . . 100.0 114.031 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.263 74.8 p 53.47 36.54 23.45 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 127.407 2.283 . . . . 100.0 115.952 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -66.24 -39.07 89.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.984 1.313 . . . . 100.0 112.039 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.79 -44.51 90.75 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 114.307 1.225 . . . . 100.0 114.307 -175.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 54.96 37.53 28.98 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 115.975 1.843 . . . . 100.0 115.975 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.629 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.49 20.56 18.05 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 121.053 -1.03 . . . . 100.0 111.946 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 56.03 57.32 5.18 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 125.508 1.523 . . . . 100.0 114.287 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.863 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.85 124.95 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-O 122.108 0.956 . . . . 100.0 110.892 179.224 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.89 169.27 18.39 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 124.967 1.307 . . . . 100.0 107.522 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.464 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.68 -39.2 90.59 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 125.668 1.587 . . . . 100.0 109.663 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.2 t60 -92.06 -74.42 0.51 Allowed 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 107.944 -1.132 . . . . 100.0 107.944 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.1 p -156.71 -39.52 0.07 Allowed 'General case' 0 C--N 1.367 1.355 0 N-CA-C 115.794 1.775 . . . . 100.0 115.794 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.8 mmt -79.36 -175.18 4.56 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 116.296 1.961 . . . . 100.0 116.296 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.4 p -71.64 163.22 28.16 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 118.664 -2.522 . . . . 100.0 111.211 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.485 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.54 -23.78 67.16 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 113.06 0.763 . . . . 100.0 113.06 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.46 -41.99 98.63 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 107.839 -1.171 . . . . 100.0 107.839 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -95.28 9.92 38.02 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 124.682 1.193 . . . . 100.0 112.183 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.86 -43.07 93.97 Favored Pre-proline 0 C--N 1.363 1.17 0 CA-C-O 115.768 -2.063 . . . . 100.0 111.893 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.17 -37.77 81.25 Favored 'Trans proline' 0 C--N 1.379 2.176 0 CA-C-N 122.773 2.026 . . . . 100.0 111.568 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.83 -45.13 90.95 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.368 1.043 . . . . 100.0 109.82 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.3 m -62.18 -42.05 98.91 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.8 1.24 . . . . 100.0 110.751 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.428 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.58 -44.74 93.19 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.8 0.84 . . . . 100.0 110.178 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.98 -39.89 95.16 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 123.719 0.808 . . . . 100.0 112.219 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.68 -50.38 73.74 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 114.421 1.267 . . . . 100.0 114.421 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.454 HE21 ' HG2' ' A' ' 69' ' ' GLU . 45.9 tt0 -102.65 -26.06 13.33 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 119.374 -0.931 . . . . 100.0 113.389 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.291 87.6 m-85 74.77 -52.56 0.68 Allowed 'General case' 0 CA--C 1.5 -0.944 0 C-N-CA 125.779 1.632 . . . . 100.0 114.607 -177.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -62.54 -64.25 0.98 Allowed 'General case' 0 C--N 1.36 1.047 0 CA-C-N 119.105 0.866 . . . . 100.0 110.214 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 71.4 m-80 46.96 45.76 15.54 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 115.849 1.796 . . . . 100.0 115.849 176.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.69 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.79 21.99 77.71 Favored Glycine 0 C--N 1.355 1.599 0 C-N-CA 121.513 -0.375 . . . . 100.0 112.187 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' GLU . 85.3 m-85 56.51 41.18 29.04 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 126.873 2.069 . . . . 100.0 112.85 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.466 ' HD1' HG23 ' A' ' 51' ' ' TPO . 30.1 t80 -61.59 -44.77 96.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 127.015 2.126 . . . . 100.0 107.763 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.7 mt -96.49 116.24 28.75 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 104.958 -2.238 . . . . 100.0 104.958 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.6 mt -65.08 -34.84 79.37 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 125.299 1.44 . . . . 100.0 113.005 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -57.59 -28.67 63.82 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 127.364 2.266 . . . . 100.0 113.256 -177.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -59.66 -43.36 93.98 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.225 1.41 . . . . 100.0 112.567 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.23 135.74 49.29 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 121.691 0.758 . . . . 100.0 111.538 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.55 -40.61 97.37 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 125.125 1.37 . . . . 100.0 111.968 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -88.9 3.87 49.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 123.634 0.774 . . . . 100.0 112.309 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.7 t-105 75.33 -49.9 0.64 Allowed 'General case' 0 C--N 1.364 1.199 0 C-N-CA 127.416 2.286 . . . . 100.0 111.986 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -94.13 112.12 56.03 Favored Pre-proline 0 N--CA 1.436 -1.167 0 N-CA-C 107.573 -1.269 . . . . 100.0 107.573 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -81.93 169.74 14.5 Favored 'Trans proline' 0 C--N 1.362 1.272 0 C-N-CA 124.996 3.797 . . . . 100.0 112.654 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -63.37 -43.88 96.37 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 109.091 -0.707 . . . . 100.0 109.091 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 35' ' ' PHE . 79.1 mm-40 -109.77 103.88 12.76 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.545 -0.909 . . . . 100.0 108.545 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.8 tp -70.22 -40.33 74.6 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.665 -1.152 . . . . 100.0 111.349 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.5 mt -63.63 144.45 57.0 Favored 'General case' 0 CA--C 1.489 -1.387 0 N-CA-C 115.163 1.542 . . . . 100.0 115.163 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TPO . . . . . 0.922 HG22 ' O3P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.69 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 10.2 t70 -69.84 133.79 47.78 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 108.203 -1.036 . . . . 100.0 108.203 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.62 -98.52 2.49 Favored Glycine 0 CA--C 1.485 -1.811 0 N-CA-C 103.562 -3.815 . . . . 100.0 103.562 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -118.75 102.76 9.07 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 107.663 -1.236 . . . . 100.0 107.663 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 52.57 39.9 28.94 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.393 2.277 . . . . 100.0 112.811 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -65.47 -42.05 92.67 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 116.333 -0.394 . . . . 100.0 111.41 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.17 156.64 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 109.378 -0.601 . . . . 100.0 109.378 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 57.04 42.94 25.25 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 126.026 1.73 . . . . 100.0 110.594 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -61.04 -47.39 95.43 Favored Pre-proline 0 C--N 1.36 1.027 0 CA-C-O 116.741 -1.6 . . . . 100.0 110.092 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -73.79 157.42 47.84 Favored 'Trans proline' 0 C--N 1.379 2.153 0 CA-C-N 122.179 1.814 . . . . 100.0 109.336 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -68.8 130.36 42.6 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.157 -1.053 . . . . 100.0 108.157 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.2 tp -118.01 -53.16 2.39 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 107.397 -1.334 . . . . 100.0 107.397 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -128.36 152.53 48.07 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.65 -1.241 . . . . 100.0 107.65 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 91.1 mmm -62.76 -43.22 99.38 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 124.643 1.177 . . . . 100.0 111.679 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -88.22 130.25 35.13 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 105.975 -1.861 . . . . 100.0 105.975 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -95.49 110.16 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.221 0 CA-C-O 122.484 1.135 . . . . 100.0 108.143 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.2 t -129.73 136.19 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 100.311 -3.959 . . . . 100.0 100.311 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -63.84 -41.88 97.73 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.502 -0.925 . . . . 100.0 108.502 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG2' HE21 ' A' ' 30' ' ' GLN . 53.9 mt-10 -87.64 93.11 9.34 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 108.621 -0.881 . . . . 100.0 108.621 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.3 m -124.52 131.62 53.48 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 104.289 -2.485 . . . . 100.0 104.289 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 . . . . . 0 C--O 1.261 1.67 0 N-CA-C 105.313 -2.106 . . . . 100.0 105.313 179.567 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.497 0 N-CA-C 108.636 -1.786 . . . . 100.0 108.636 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t 54.01 51.83 13.95 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.175 1.39 . . . . 100.0 111.464 -179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.1 m 73.79 -54.36 0.68 Allowed 'General case' 0 C--N 1.364 1.225 0 C-N-CA 127.85 2.46 . . . . 100.0 110.219 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.11 167.5 20.11 Favored 'General case' 0 N--CA 1.437 -1.085 0 C-N-CA 124.909 1.284 . . . . 100.0 109.109 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.6 75.24 10.31 Favored 'General case' 0 N--CA 1.435 -1.213 0 N-CA-C 106.836 -1.542 . . . . 100.0 106.836 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.89 39.81 26.69 Favored 'General case' 0 C--N 1.361 1.108 0 C-N-CA 127.518 2.327 . . . . 100.0 114.076 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.261 75.0 p 53.34 36.63 23.38 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 127.412 2.285 . . . . 100.0 115.972 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -66.31 -39.04 89.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.997 1.319 . . . . 100.0 112.032 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.81 -44.51 90.81 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 114.312 1.227 . . . . 100.0 114.312 -175.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 55.03 37.54 29.07 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 115.94 1.83 . . . . 100.0 115.94 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.63 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.2 pt20 -109.48 20.46 18.17 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 121.061 -1.024 . . . . 100.0 111.953 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.07 57.3 5.18 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 125.462 1.505 . . . . 100.0 114.249 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.873 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.8 124.98 61.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-O 122.114 0.959 . . . . 100.0 110.875 179.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.94 169.29 18.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 107.442 -1.318 . . . . 100.0 107.442 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.66 -39.22 90.59 Favored 'General case' 0 N--CA 1.435 -1.197 0 C-N-CA 125.681 1.593 . . . . 100.0 109.656 178.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.06 -74.45 0.51 Allowed 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 107.951 -1.129 . . . . 100.0 107.951 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.2 p -156.72 -39.53 0.07 Allowed 'General case' 0 C--N 1.367 1.34 0 N-CA-C 115.799 1.777 . . . . 100.0 115.799 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.35 -175.18 4.56 Favored 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 116.296 1.961 . . . . 100.0 116.296 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.6 p -71.63 163.18 28.24 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 118.69 -2.506 . . . . 100.0 111.186 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.481 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.3 m-85 -62.54 -23.71 67.13 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 113.146 0.795 . . . . 100.0 113.146 178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.46 -42.08 98.62 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 107.825 -1.176 . . . . 100.0 107.825 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.16 9.89 37.95 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 124.721 1.208 . . . . 100.0 112.208 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.0 t -59.88 -43.07 93.94 Favored Pre-proline 0 C--N 1.363 1.161 0 CA-C-O 115.792 -2.051 . . . . 100.0 111.867 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.16 -37.74 81.49 Favored 'Trans proline' 0 C--N 1.381 2.25 0 CA-C-N 122.759 2.021 . . . . 100.0 111.583 177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.89 -45.13 90.75 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 124.293 1.037 . . . . 100.0 109.795 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.15 -41.98 98.81 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 124.724 1.21 . . . . 100.0 110.813 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.405 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.67 -44.7 92.99 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.772 0.829 . . . . 100.0 110.157 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.9 95.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 123.821 0.848 . . . . 100.0 112.243 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.7 -50.37 73.77 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 114.436 1.273 . . . . 100.0 114.436 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -102.82 -22.74 13.84 Favored 'General case' 0 C--N 1.362 1.137 0 N-CA-C 113.813 1.042 . . . . 100.0 113.813 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.305 91.8 m-85 74.48 -55.57 0.65 Allowed 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 116.321 1.971 . . . . 100.0 116.321 -177.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -65.05 -62.79 1.34 Allowed 'General case' 0 C--N 1.363 1.194 0 CA-C-N 120.091 1.314 . . . . 100.0 110.445 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.405 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 68.1 m-80 48.24 44.75 19.9 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 115.009 1.485 . . . . 100.0 115.009 176.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.693 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 75.83 20.69 77.74 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 121.815 -0.553 . . . . 100.0 112.277 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 55.23 41.53 31.32 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 127.151 2.18 . . . . 100.0 113.077 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -61.26 -45.17 95.63 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.998 2.119 . . . . 100.0 107.882 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.0 mt -97.01 116.21 28.82 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 104.763 -2.31 . . . . 100.0 104.763 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.78 -38.07 89.75 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 125.731 1.613 . . . . 100.0 112.653 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.86 -23.11 64.9 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 116.406 2.002 . . . . 100.0 116.406 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -62.52 -41.0 98.56 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.889 0.768 . . . . 100.0 111.576 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -67.16 136.8 55.64 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.378 0.609 . . . . 100.0 110.748 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -62.16 -41.87 98.71 Favored 'General case' 0 CA--C 1.5 -0.955 0 C-N-CA 124.699 1.199 . . . . 100.0 112.792 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -89.11 3.11 52.93 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 123.052 0.541 . . . . 100.0 112.037 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.441 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 89.8 t90 73.52 -44.41 0.58 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 127.386 2.274 . . . . 100.0 112.569 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -90.22 107.06 17.11 Favored Pre-proline 0 C--N 1.357 0.926 0 N-CA-C 105.298 -2.112 . . . . 100.0 105.298 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 44' ' ' TRP . 27.3 Cg_endo -81.47 171.32 13.67 Favored 'Trans proline' 0 C--N 1.365 1.431 0 C-N-CA 124.62 3.547 . . . . 100.0 114.314 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -62.01 -46.41 89.32 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 124.789 1.236 . . . . 100.0 108.444 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -112.41 106.87 15.48 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 107.915 -1.143 . . . . 100.0 107.915 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.46 -39.76 74.09 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 123.665 0.786 . . . . 100.0 111.579 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.805 ' C ' ' O3P' ' A' ' 51' ' ' TPO . 64.3 mt -62.81 142.83 58.05 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 125.598 1.559 . . . . 100.0 114.908 -177.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TPO . . . . . 1.354 ' N ' ' O3P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.693 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 16.4 t70 -70.1 134.95 48.72 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.6 -0.889 . . . . 100.0 108.6 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.73 -100.87 2.67 Favored Glycine 0 CA--C 1.487 -1.686 0 N-CA-C 104.859 -3.297 . . . . 100.0 104.859 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -116.23 100.99 8.31 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 106.708 -1.59 . . . . 100.0 106.708 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 52.25 40.12 28.39 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 127.045 2.138 . . . . 100.0 112.894 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -66.44 -40.76 89.68 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 123.245 0.618 . . . . 100.0 111.224 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.4 ' HB ' ' HA2' ' A' ' 34' ' ' GLY . 9.8 p -72.82 150.05 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.209 0 C-N-CA 123.994 0.918 . . . . 100.0 109.892 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 54.42 44.66 28.53 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 126.784 2.033 . . . . 100.0 110.824 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.414 ' N ' ' HD2' ' A' ' 60' ' ' PRO . 31.5 t70 -61.7 -46.07 93.23 Favored Pre-proline 0 C--N 1.364 1.204 0 CA-C-O 116.644 -1.646 . . . . 100.0 108.981 178.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 59' ' ' ASP . 74.3 Cg_endo -70.01 151.38 67.61 Favored 'Trans proline' 0 C--N 1.386 2.53 0 CA-C-N 122.175 1.813 . . . . 100.0 107.859 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.99 131.08 45.65 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 121.53 0.681 . . . . 100.0 111.443 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 tp -116.99 -54.95 2.39 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 105.744 -1.947 . . . . 100.0 105.744 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -131.7 152.26 51.02 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 107.004 -1.48 . . . . 100.0 107.004 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 70.4 mtm -63.25 -42.34 99.18 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 124.658 1.183 . . . . 100.0 111.03 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -83.19 128.97 34.95 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 106.112 -1.81 . . . . 100.0 106.112 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.31 106.99 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 107.658 -1.238 . . . . 100.0 107.658 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -128.77 135.89 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 N-CA-C 100.383 -3.932 . . . . 100.0 100.383 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -64.86 -41.91 95.29 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 121.771 -0.581 . . . . 100.0 109.671 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -85.9 88.05 7.51 Favored 'General case' 0 N--CA 1.438 -1.062 0 N-CA-C 107.607 -1.257 . . . . 100.0 107.607 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 80.7 m -121.17 130.93 53.95 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 104.408 -2.441 . . . . 100.0 104.408 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 . . . . . 0 C--O 1.261 1.698 0 N-CA-C 109.183 -0.673 . . . . 100.0 109.183 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.502 0 N-CA-C 108.635 -1.786 . . . . 100.0 108.635 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t 53.95 51.85 13.98 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 125.217 1.407 . . . . 100.0 111.5 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 m 73.89 -54.38 0.68 Allowed 'General case' 0 C--N 1.365 1.258 0 C-N-CA 127.766 2.426 . . . . 100.0 110.231 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.18 167.53 20.12 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 124.882 1.273 . . . . 100.0 109.108 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -84.56 75.2 10.3 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 106.843 -1.54 . . . . 100.0 106.843 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.87 39.87 26.74 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 127.613 2.365 . . . . 100.0 114.056 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.26 73.5 p 53.33 36.61 23.3 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 127.456 2.302 . . . . 100.0 116.001 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.3 m -66.22 -39.1 89.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.027 1.331 . . . . 100.0 112.035 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.9 tpt -58.87 -44.44 91.07 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.309 1.226 . . . . 100.0 114.309 -175.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 55.03 37.44 28.92 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 115.949 1.833 . . . . 100.0 115.949 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.63 ' HG3' HG23 ' A' ' 13' ' ' ILE . 26.1 pt20 -109.44 20.55 18.09 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.995 -1.066 . . . . 100.0 111.925 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 56.03 57.29 5.2 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.48 1.512 . . . . 100.0 114.266 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.869 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.83 124.93 61.27 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-O 122.127 0.965 . . . . 100.0 110.928 179.16 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 15' ' ' ALA . 38.3 t -163.87 169.28 18.4 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 125.016 1.327 . . . . 100.0 107.494 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.7 -39.17 90.52 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 125.668 1.587 . . . . 100.0 109.694 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 69.0 t60 -92.09 -74.39 0.51 Allowed 'General case' 0 N--CA 1.435 -1.182 0 N-CA-C 107.958 -1.127 . . . . 100.0 107.958 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.3 p -156.74 -39.48 0.07 Allowed 'General case' 0 C--N 1.367 1.348 0 N-CA-C 115.836 1.791 . . . . 100.0 115.836 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -79.31 -175.25 4.58 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 116.338 1.977 . . . . 100.0 116.338 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.3 p -71.58 163.21 28.17 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 118.678 -2.513 . . . . 100.0 111.236 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.48 ' HA ' ' HB2' ' A' ' 23' ' ' CYS . 37.2 m-85 -62.6 -23.74 67.2 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 113.037 0.754 . . . . 100.0 113.037 178.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -63.45 -42.02 98.63 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 107.81 -1.181 . . . . 100.0 107.81 176.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.24 9.86 38.2 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 124.682 1.193 . . . . 100.0 112.158 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.48 ' HB2' ' HA ' ' A' ' 20' ' ' PHE . 42.1 t -59.85 -43.06 94.0 Favored Pre-proline 0 C--N 1.362 1.129 0 CA-C-O 115.784 -2.055 . . . . 100.0 111.928 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.21 -37.68 81.53 Favored 'Trans proline' 0 C--N 1.38 2.207 0 CA-C-N 122.76 2.021 . . . . 100.0 111.612 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.86 -45.17 90.66 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.287 1.035 . . . . 100.0 109.776 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 16' ' ' HIS . 67.2 m -62.14 -42.01 98.83 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 124.749 1.219 . . . . 100.0 110.8 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.401 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . 23.0 t -63.65 -44.7 93.07 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 123.748 0.819 . . . . 100.0 110.19 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.88 95.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 123.785 0.834 . . . . 100.0 112.261 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.73 -50.52 73.13 Favored 'General case' 0 CA--C 1.494 -1.185 0 N-CA-C 114.382 1.253 . . . . 100.0 114.382 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -102.26 -25.48 13.66 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 113.59 0.959 . . . . 100.0 113.59 -177.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.311 90.8 m-85 74.58 -53.33 0.68 Allowed 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 115.45 1.648 . . . . 100.0 115.45 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.44 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 99.6 mtt180 -63.92 -62.36 1.69 Allowed 'General case' 0 C--N 1.363 1.167 0 CA-C-N 119.984 1.265 . . . . 100.0 110.17 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 27' ' ' SER . 59.4 m-80 48.65 42.98 20.24 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.484 1.513 . . . . 100.0 114.636 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.643 ' HA3' ' HB2' ' A' ' 52' ' ' ASP . . . 74.08 21.63 78.85 Favored Glycine 0 C--N 1.355 1.638 0 O-C-N 121.88 -0.513 . . . . 100.0 111.852 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 56.22 40.31 30.03 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 127.22 2.208 . . . . 100.0 114.265 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -62.77 -43.01 99.92 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 125.83 1.652 . . . . 100.0 107.51 177.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.7 tp -95.14 113.14 24.8 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 105.6 -2.0 . . . . 100.0 105.6 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.39 -36.96 85.83 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 126.469 1.908 . . . . 100.0 113.016 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -56.98 -32.11 65.75 Favored 'General case' 0 CA--C 1.5 -0.958 0 C-N-CA 127.541 2.336 . . . . 100.0 114.209 -176.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 66.5 t80 -59.61 -43.57 93.73 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 113.401 0.889 . . . . 100.0 113.401 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -66.16 136.03 55.37 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 121.691 0.758 . . . . 100.0 110.558 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.05 -42.26 98.99 Favored 'General case' 0 CA--C 1.502 -0.871 0 C-N-CA 125.056 1.342 . . . . 100.0 112.286 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.79 0.67 54.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 123.579 0.752 . . . . 100.0 111.584 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . 0.256 89.7 t90 74.24 -47.11 0.63 Allowed 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.334 2.254 . . . . 100.0 112.912 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -86.79 108.62 19.11 Favored Pre-proline 0 N--CA 1.438 -1.048 0 N-CA-C 105.792 -1.929 . . . . 100.0 105.792 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -80.59 164.23 21.09 Favored 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.877 3.052 . . . . 100.0 113.205 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -66.22 -41.52 89.99 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 108.299 -1.0 . . . . 100.0 108.299 177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -109.63 104.76 13.82 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 106.635 -1.617 . . . . 100.0 106.635 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.42 -41.33 73.06 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 124.461 1.104 . . . . 100.0 112.968 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.2 mt -64.85 146.11 55.34 Favored 'General case' 0 CA--C 1.489 -1.4 0 N-CA-C 115.502 1.668 . . . . 100.0 115.502 -177.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TPO . . . . . 0.92 HG21 ' O1P' ' A' ' 51' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.643 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . 8.7 t70 -72.64 135.55 45.49 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 107.948 -1.13 . . . . 100.0 107.948 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -105.44 -101.4 2.7 Favored Glycine 0 CA--C 1.491 -1.408 0 N-CA-C 104.161 -3.576 . . . . 100.0 104.161 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -115.47 102.92 10.26 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 106.228 -1.768 . . . . 100.0 106.228 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 52.08 41.19 29.79 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 126.645 1.978 . . . . 100.0 113.299 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -65.57 -42.06 92.19 Favored 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 122.467 0.307 . . . . 100.0 111.779 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.4 p -73.99 150.71 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.112 0 CA-C-O 121.295 0.569 . . . . 100.0 109.766 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 54.59 42.56 31.21 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.795 2.038 . . . . 100.0 112.195 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.6 -44.92 88.3 Favored Pre-proline 0 C--N 1.36 1.049 0 CA-C-O 117.057 -1.449 . . . . 100.0 109.986 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -71.89 157.84 54.08 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.206 1.937 . . . . 100.0 109.026 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.21 130.3 43.35 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.296 0.569 . . . . 100.0 109.828 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.4 tp -117.91 -55.69 2.24 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 106.329 -1.73 . . . . 100.0 106.329 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -130.92 153.86 48.72 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 107.409 -1.33 . . . . 100.0 107.409 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.3 mtp -62.88 -41.98 99.61 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 124.113 0.965 . . . . 100.0 112.148 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -83.32 129.96 35.03 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 105.769 -1.937 . . . . 100.0 105.769 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.2 t -102.62 109.18 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 CA-C-O 122.458 1.123 . . . . 100.0 108.452 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.8 t -133.27 139.85 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 N-CA-C 101.954 -3.35 . . . . 100.0 101.954 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -64.62 -42.06 95.75 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 109.107 -0.701 . . . . 100.0 109.107 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -87.25 84.81 7.18 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 108.901 -0.778 . . . . 100.0 108.901 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.9 m -124.58 131.25 53.48 Favored 'General case' 0 N--CA 1.438 -1.064 0 N-CA-C 105.881 -1.896 . . . . 100.0 105.881 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.261 1.678 0 N-CA-C 106.373 -1.714 . . . . 100.0 106.373 179.753 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_