data_2ny9_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 2ny9 _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 ' X' X ' 16' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 47.4 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.714 0.292 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.691 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -65.56 -59.12 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.543 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . 0.641 ' HA ' HD11 ' X' ' 21' ' ' LEU . . . -56.23 -48.23 76.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.208 0.528 . . . . 0.0 111.879 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -58.44 -40.48 82.69 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.125 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.543 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.5 OUTLIER -77.91 -21.65 50.87 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 96.7 mt -62.01 -34.3 75.94 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.28 -45.31 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.924 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -67.3 -50.03 61.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.12 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.63 31.97 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.741 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.544 ' O ' HD21 ' X' ' 21' ' ' LEU . 81.8 m-85 -108.73 156.46 19.58 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' X' ' 39' ' ' ASP . 4.6 mmp_? -107.91 22.17 16.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.133 0.492 . . . . 0.0 110.163 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.08 158.16 17.51 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.158 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -161.77 133.51 3.17 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -146.4 138.96 25.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 52.6 t -90.1 121.75 32.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.105 0.478 . . . . 0.0 110.566 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.432 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 52.1 tptt -134.13 134.08 41.78 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 62.44 34.86 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.613 0.57 . . . . 0.0 109.699 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt 62.97 29.72 16.44 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.385 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 55.0 mt -138.08 132.41 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 110.553 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 9.6 t -70.35 109.94 5.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.433 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 36' ' ' HIS . . . . . 0.432 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 90.9 m-70 -111.77 113.6 26.06 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 37' ' ' CYS . . . . . 0.507 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 40.3 m -89.14 158.68 17.84 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.375 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -137.63 149.85 46.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 39' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' X' ' 26' ' ' ARG . 0.8 OUTLIER 66.19 83.82 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.409 179.445 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 40' ' ' LYS . . . . . 0.48 ' HB2' ' CE2' ' X' ' 25' ' ' TYR . 28.0 tptp -100.76 113.36 26.2 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.099 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 6.9 p90 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.512 -0.756 . . . . 0.0 110.671 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.34 -50.34 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.677 0.275 . . . . 0.0 110.908 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.87 -53.15 60.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.886 0.851 . . . . 0.0 111.551 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . 0.533 ' O ' HG13 ' X' ' 22' ' ' VAL . 76.8 t60 -60.46 -33.43 72.55 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.215 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.538 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 77.4 m -76.22 -36.8 58.4 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.425 HD23 ' O ' ' X' ' 26' ' ' ARG . 49.3 mt -59.87 -47.27 86.42 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 22' ' ' VAL . . . . . 0.533 HG13 ' O ' ' X' ' 19' ' ' HIS . 5.2 p -63.13 -37.79 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.056 0.455 . . . . 0.0 110.713 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -63.74 -50.66 68.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.27 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 24' ' ' GLY . . . . . 0.508 ' O ' ' HD2' ' X' ' 40' ' ' LYS . . . 143.85 36.85 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.266 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.541 ' CZ ' ' HD3' ' X' ' 40' ' ' LYS . 31.3 m-85 -126.65 156.53 40.86 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . 0.699 ' HB2' ' HB2' ' X' ' 39' ' ' ASP . 3.5 mmp_? -71.0 -29.42 65.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.231 0.332 . . . . 0.0 111.381 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.79 -163.15 24.34 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.498 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.97 148.73 13.65 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.831 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -144.54 141.78 29.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -82.79 137.15 34.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.13 0.49 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -151.16 129.33 11.9 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 m120 62.86 37.63 12.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 61.46 31.47 19.03 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.448 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 56.0 mt -139.75 127.04 24.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.75 114.57 11.04 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -107.32 121.32 44.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.75 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 37' ' ' CYS . . . . . 0.528 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 87.3 m -75.23 138.83 42.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.102 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -118.7 142.02 48.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.708 0.29 . . . . 0.0 111.278 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 39' ' ' ASP . . . . . 0.699 ' HB2' ' HB2' ' X' ' 26' ' ' ARG . 59.2 m-20 62.88 84.57 0.14 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.534 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 40' ' ' LYS . . . . . 0.541 ' HD3' ' CZ ' ' X' ' 25' ' ' TYR . 28.9 tptp -84.7 132.46 34.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.769 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 41' ' ' PHE . . . . . 0.435 ' HE1' ' HG2' ' X' ' 26' ' ' ARG . 3.4 m-85 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.107 -0.949 . . . . 0.0 109.559 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . 0.554 ' HB2' ' SG ' ' X' ' 30' ' ' CYS . 42.8 t . . . . . 0 C--O 1.233 0.188 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -60.39 -54.81 41.14 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.602 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.86 88.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.394 0.616 . . . . 0.0 110.045 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -56.02 -45.39 79.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.72 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.604 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -86.47 -18.73 30.91 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.811 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 67.8 mt -59.19 -35.35 73.43 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -70.17 -41.47 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.76 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -67.62 -47.35 69.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.917 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.34 42.32 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.959 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.604 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 83.3 m-85 -139.2 130.09 26.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -85.95 39.54 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.75 147.89 5.66 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.12 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -160.41 131.19 2.58 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.584 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -131.53 130.27 42.11 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.29 0.566 . . . . 0.0 110.61 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' X' ' 16' ' ' CYS . 89.0 m -80.66 108.35 14.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.216 0.532 . . . . 0.0 110.161 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 tmtp? -121.22 130.46 53.7 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 59.07 36.75 24.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.163 0.506 . . . . 0.0 110.087 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.33 30.3 17.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.966 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 34' ' ' ILE . . . . . 0.415 HG23 ' N ' ' X' ' 35' ' ' CYS . 51.4 mt -137.07 137.79 46.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 35' ' ' CYS . . . . . 0.415 ' N ' HG23 ' X' ' 34' ' ' ILE . 52.8 t -69.45 100.64 1.42 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.84 0.352 . . . . 0.0 110.394 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -101.73 109.25 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 37' ' ' CYS . . . . . 0.459 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 25.7 m -83.49 162.66 20.86 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 -176.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -148.73 154.83 40.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.418 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 68.63 84.92 0.15 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.774 0.672 . . . . 0.0 111.787 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -76.85 145.76 38.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.217 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.384 179.472 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -57.27 -49.52 75.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.15 96.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.965 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . 0.404 ' CD2' ' HE3' ' X' ' 23' ' ' LYS . 4.3 t-160 -54.37 -43.2 71.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.554 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 82.6 m -75.51 -36.21 60.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.124 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 88.6 mt -60.29 -39.99 88.89 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 0.0 110.08 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.41 -40.48 88.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.319 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . 0.404 ' HE3' ' CD2' ' X' ' 19' ' ' HIS . 99.6 mttt -69.68 -50.94 39.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.769 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.33 51.59 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.133 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.567 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 85.3 m-85 -130.36 155.7 45.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.756 -0.261 . . . . 0.0 110.723 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -64.8 -33.75 76.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.501 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.28 -169.91 28.48 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.522 -0.846 . . . . 0.0 111.849 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.12 146.24 11.49 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.059 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -149.52 139.31 21.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 m -88.56 142.14 27.94 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.581 0.705 . . . . 0.0 111.852 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.431 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 22.9 tptm -159.98 134.03 7.35 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 32' ' ' ASN . . . . . 0.434 ' O ' HG13 ' X' ' 34' ' ' ILE . 1.1 t-20 64.41 32.3 12.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' X' ' 33' ' ' LYS . 0.3 OUTLIER 61.14 35.57 18.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.144 -179.62 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 34' ' ' ILE . . . . . 0.434 HG13 ' O ' ' X' ' 32' ' ' ASN . 56.0 mt -140.18 134.23 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.353 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.8 110.76 5.12 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 36' ' ' HIS . . . . . 0.431 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.8 m-70 -104.37 119.62 39.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.985 0.422 . . . . 0.0 109.925 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 37' ' ' CYS . . . . . 0.526 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 71.7 m -80.44 135.99 36.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.433 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -89.27 130.03 35.74 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.474 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 49.43 -130.52 1.94 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.053 0.846 . . . . 0.0 112.198 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -173.3 154.5 2.68 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.242 179.3 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 t . . . . . 0 N--CA 1.456 -0.128 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.594 ' O ' HD13 ' X' ' 21' ' ' LEU . . . -59.77 -50.5 73.57 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.1 86.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.397 0.618 . . . . 0.0 109.708 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -58.75 -39.74 81.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.188 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.583 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 67.8 m -71.46 -36.45 71.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.655 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.594 HD13 ' O ' ' X' ' 17' ' ' ALA . 7.5 mp -57.32 -37.93 73.27 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.839 0.352 . . . . 0.0 110.216 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.63 -43.23 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.263 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -70.37 -43.88 69.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.635 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.34 47.51 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.706 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.648 ' CE2' ' HB3' ' X' ' 40' ' ' LYS . 39.7 m-85 -129.64 157.69 41.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.997 0.427 . . . . 0.0 111.192 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -76.83 -29.82 56.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.19 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.98 -178.89 33.41 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.194 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.6 160.6 34.27 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.977 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -150.47 133.4 16.02 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 t -82.41 131.23 35.22 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.869 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.437 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 43.4 tptt -153.95 130.55 10.7 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.27 40.15 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp 72.27 -22.12 0.22 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 114.915 -1.039 . . . . 0.0 113.101 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.61 133.85 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 42.7 t -75.05 82.04 2.25 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 36' ' ' HIS . . . . . 0.437 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 87.7 m-70 -72.48 125.43 27.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.317 0.58 . . . . 0.0 110.912 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 37' ' ' CYS . . . . . 0.508 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 82.1 m -95.63 149.19 21.72 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.099 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 -131.22 139.52 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 57.86 92.31 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.828 0.705 . . . . 0.0 112.263 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 40' ' ' LYS . . . . . 0.686 ' H ' ' HD3' ' X' ' 40' ' ' LYS . 0.0 OUTLIER -95.26 -171.06 2.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.031 0.443 . . . . 0.0 110.299 178.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.6 p90 . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.953 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 42.4 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.894 0.378 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.631 ' O ' HD13 ' X' ' 21' ' ' LEU . . . -71.93 -59.72 2.6 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.464 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.04 -51.0 33.62 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.362 0.601 . . . . 0.0 112.495 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -60.36 -39.6 87.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.923 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.56 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.1 OUTLIER -75.84 -25.57 56.36 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.631 HD13 ' O ' ' X' ' 17' ' ' ALA . 2.9 mp -58.5 -34.92 71.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 61.3 t -61.67 -45.17 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.529 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -65.41 -52.6 52.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.565 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.87 36.4 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.377 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.56 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 89.1 m-85 -116.54 153.93 31.32 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . 0.543 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.6 mmp_? -99.99 -0.79 38.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.664 0.269 . . . . 0.0 111.59 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.57 -174.9 40.17 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.427 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -175.78 144.61 7.23 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -144.3 149.1 35.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.209 0.505 . . . . 0.0 111.607 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 41.9 t -88.57 126.19 35.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.497 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.461 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 16.1 tppt? -163.27 132.42 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 32' ' ' ASN . . . . . 0.448 ' O ' HG13 ' X' ' 34' ' ' ILE . 4.4 m120 58.3 34.24 23.88 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.377 0.423 . . . . 0.0 111.255 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt 57.7 37.43 27.29 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.206 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 34' ' ' ILE . . . . . 0.448 HG13 ' O ' ' X' ' 32' ' ' ASN . 46.9 mt -143.22 124.06 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.732 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 t -67.08 100.24 0.74 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 36' ' ' HIS . . . . . 0.461 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.5 m-70 -92.95 103.14 15.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.042 0.448 . . . . 0.0 110.123 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 37' ' ' CYS . . . . . 0.452 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 56.5 m -76.75 144.77 39.03 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.725 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -110.48 142.29 42.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 39' ' ' ASP . . . . . 0.549 ' O ' ' HA ' ' X' ' 25' ' ' TYR . 1.7 m-20 56.95 92.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.982 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 40' ' ' LYS . . . . . 0.532 ' HB2' ' CE2' ' X' ' 25' ' ' TYR . 28.5 tptp -95.95 125.98 40.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.572 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 11.4 p90 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.625 -0.703 . . . . 0.0 110.205 179.808 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.438 -1.057 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.627 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -62.93 -51.78 65.58 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.156 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . 0.747 ' HA ' HD13 ' X' ' 21' ' ' LEU . . . -80.2 -48.8 12.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.668 0.747 . . . . 0.0 111.249 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -53.97 -42.24 68.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.037 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.568 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 84.1 m -70.57 -29.5 65.96 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.18 -0.325 . . . . 0.0 111.001 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' X' ' 18' ' ' ALA . 84.6 mt -56.71 -42.88 79.91 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.356 0.598 . . . . 0.0 109.502 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 61.0 t -56.2 -45.02 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.787 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -68.98 -42.02 77.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.132 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.32 45.01 0.14 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.196 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.568 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 42.7 m-85 -131.41 149.94 52.34 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . 0.596 ' HB2' ' HB2' ' X' ' 39' ' ' ASP . 7.5 mmp_? -67.17 -30.94 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.854 0.359 . . . . 0.0 111.0 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.63 -157.42 10.34 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.362 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.59 153.42 21.74 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . 0.488 ' HE2' ' HB3' ' X' ' 38' ' ' ARG . 32.2 p90 -143.44 140.43 30.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.943 0.401 . . . . 0.0 111.636 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 18.9 t -78.98 128.23 33.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.333 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.96 130.47 12.97 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 32' ' ' ASN . . . . . 0.441 ' O ' HG13 ' X' ' 34' ' ' ILE . 6.2 m120 65.02 32.08 10.71 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -177.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . 0.677 ' HA ' ' HE3' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 61.08 39.74 15.84 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.76 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 34' ' ' ILE . . . . . 0.441 HG13 ' O ' ' X' ' 32' ' ' ASN . 24.3 mt -147.54 130.27 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.317 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.04 121.73 17.27 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -114.15 113.65 24.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.919 0.39 . . . . 0.0 110.296 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 37' ' ' CYS . . . . . 0.546 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 90.2 m -67.39 139.88 57.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 38' ' ' ARG . . . . . 0.514 ' O ' ' HB3' ' X' ' 25' ' ' TYR . 43.1 ptt85 -124.67 146.96 48.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.325 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 39' ' ' ASP . . . . . 0.596 ' HB2' ' HB2' ' X' ' 26' ' ' ARG . 1.7 m-20 66.24 74.79 0.35 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.102 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 40' ' ' LYS . . . . . 0.564 ' HB2' ' CE2' ' X' ' 25' ' ' TYR . 58.0 tptt -82.32 123.65 29.26 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.919 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 41' ' ' PHE . . . . . 0.475 ' HE1' ' HG2' ' X' ' 26' ' ' ARG . 5.6 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.172 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.469 0.176 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.481 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -63.21 -52.93 60.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . 0.559 ' HA ' HD13 ' X' ' 21' ' ' LEU . . . -57.25 -47.47 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.935 0.874 . . . . 0.0 111.098 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -60.38 -42.67 96.32 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.177 -1.374 . . . . 0.0 111.064 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.524 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 94.5 m -69.64 -31.9 70.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.677 0.275 . . . . 0.0 110.767 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' X' ' 18' ' ' ALA . 81.7 mt -60.11 -36.46 77.48 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.84 -44.97 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.596 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -69.81 -43.43 72.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.794 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 24' ' ' GLY . . . . . 0.593 ' O ' ' HD2' ' X' ' 40' ' ' LYS . . . 133.27 36.49 0.27 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.773 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.524 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 66.9 m-85 -112.32 157.11 21.37 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -63.96 -34.38 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.121 0.486 . . . . 0.0 110.341 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.41 -163.14 25.76 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.97 138.16 5.19 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.361 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . 0.454 ' HE2' ' HB3' ' X' ' 38' ' ' ARG . 44.5 p90 -124.69 131.45 53.46 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 21.1 t -87.76 125.45 34.44 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -136.4 130.31 32.54 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m120 59.65 41.92 17.91 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.714 0.634 . . . . 0.0 110.134 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 61.96 28.97 17.64 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.982 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -136.83 126.57 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.779 0.324 . . . . 0.0 110.307 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 27.1 t -70.95 127.18 31.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.945 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -122.24 112.6 18.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.781 0.324 . . . . 0.0 110.353 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 37' ' ' CYS . . . . . 0.513 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 84.5 m -72.06 133.43 45.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.218 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 38' ' ' ARG . . . . . 0.454 ' HB3' ' HE2' ' X' ' 29' ' ' TYR . 24.9 ptt-85 -113.75 128.86 56.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.952 0.406 . . . . 0.0 111.814 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 t0 59.73 120.1 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.457 -1.247 . . . . 0.0 113.374 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 40' ' ' LYS . . . . . 0.593 ' HD2' ' O ' ' X' ' 24' ' ' GLY . 29.0 tptp -97.83 129.29 44.81 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.754 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 24.9 p90 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.253 179.529 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 8.0 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.426 0.155 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.414 ' HA ' ' N ' ' X' ' 28' ' ' GLY . . . -65.47 -51.12 62.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.928 0.394 . . . . 0.0 111.154 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -51.06 68.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.838 0.827 . . . . 0.0 111.711 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -61.1 -45.57 94.17 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.019 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -72.01 -21.56 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.683 -179.663 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.634 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 4.9 mt -61.36 -36.23 79.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.92 -43.92 89.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.057 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.01 -46.94 88.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.564 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.05 -3.0 0.46 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.375 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' X' ' 21' ' ' LEU . 28.5 m-85 -87.83 157.88 18.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . 0.718 ' HG2' ' HB2' ' X' ' 39' ' ' ASP . 0.0 OUTLIER -71.36 -24.15 62.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.58 -140.65 5.82 Favored Glycine 0 N--CA 1.439 -1.111 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.306 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . 0.414 ' N ' ' HA ' ' X' ' 17' ' ' ALA . . . 177.06 -157.07 21.77 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.705 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -170.77 -170.9 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -129.76 138.17 50.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.995 0.426 . . . . 0.0 109.98 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -141.44 122.86 14.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.81 37.17 12.55 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.532 0.52 . . . . 0.0 109.649 -177.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . 0.668 ' HE3' ' HA ' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 60.61 37.21 19.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.298 -179.501 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 36.6 mt -141.71 123.52 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.39 131.74 47.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.242 0.544 . . . . 0.0 111.227 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -136.54 123.11 20.93 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 37' ' ' CYS . . . . . . . . . . . . . 38.0 m -82.02 165.02 21.02 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.915 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -151.52 148.67 28.31 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.275 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 39' ' ' ASP . . . . . 0.718 ' HB2' ' HG2' ' X' ' 26' ' ' ARG . 57.5 m-20 59.84 86.58 0.09 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.216 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -89.03 131.46 35.19 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.54 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.916 179.301 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 t . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 120.805 0.336 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.662 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -66.62 -55.86 13.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 178.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -52.59 -52.38 55.48 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.828 0.823 . . . . 0.0 112.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -56.96 -43.87 82.01 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.269 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 20' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.4 OUTLIER -75.32 -22.27 57.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' X' ' 18' ' ' ALA . 96.6 mt -59.71 -39.89 86.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.47 -44.36 98.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.453 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -62.93 -52.38 63.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.926 -1.033 . . . . 0.0 111.188 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.77 43.81 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.979 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' X' ' 40' ' ' LYS . 31.4 m-85 -125.67 157.12 38.09 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.8 mmp_? -86.54 -17.79 33.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.036 0.445 . . . . 0.0 111.288 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.89 -159.92 14.44 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.14 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 28' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . 165.43 149.75 5.98 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.545 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 29' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' X' ' 31' ' ' LYS . 46.8 p90 -161.0 141.05 10.96 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.771 0.319 . . . . 0.0 110.376 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 64.1 m -75.69 117.58 17.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.488 ' HB2' ' CE2' ' X' ' 29' ' ' TYR . 11.2 tmtt? -130.71 137.94 49.76 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 32' ' ' ASN . . . . . 0.446 ' N ' ' HD3' ' X' ' 31' ' ' LYS . 23.9 p30 50.93 39.22 22.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.649 0.738 . . . . 0.0 109.371 -176.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 33' ' ' LYS . . . . . 0.577 ' HE3' ' HA ' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 76.23 -27.98 0.18 Allowed 'General case' 0 C--N 1.347 0.467 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.995 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.15 135.5 24.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.31 100.4 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 36' ' ' HIS . . . . . 0.422 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.7 m-70 -97.0 106.04 18.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.2 0.524 . . . . 0.0 109.723 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 37' ' ' CYS . . . . . 0.448 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 66.9 m -75.05 144.27 43.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.83 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -99.97 120.83 40.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 39' ' ' ASP . . . . . 0.45 ' O ' ' HA ' ' X' ' 25' ' ' TYR . 39.0 t70 59.04 126.31 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 O-C-N 124.511 1.132 . . . . 0.0 113.283 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 40' ' ' LYS . . . . . 0.621 ' HB3' ' CE2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -119.15 37.4 4.15 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.824 178.839 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.251 1.132 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.08 179.668 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.881 0.372 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' THR . . . . . 0.407 HG23 ' HB2' ' X' ' 35' ' ' CYS . 22.6 m -71.11 -42.73 68.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' X' ' 11' ' ' VAL . 45.1 m -99.46 141.37 32.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.844 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' X' ' 5' ' ' LEU . 17.4 t70 -153.01 -137.52 0.07 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.509 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.509 ' HA ' HD22 ' X' ' 5' ' ' LEU . 3.0 tm? -126.62 -45.45 1.63 Allowed 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.3 33.46 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.373 0.606 . . . . 0.0 110.397 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' SER . . . . . 0.431 ' H ' ' C ' ' X' ' 5' ' ' LEU . 15.2 m -81.88 54.94 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.078 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.54 45.6 89.01 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 59.33 49.88 8.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.516 0.674 . . . . 0.0 109.835 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.88 -128.54 1.0 Allowed Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.715 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . 0.517 HG12 ' HB3' ' X' ' 30' ' ' CYS . 10.7 p -139.65 -35.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.018 0.437 . . . . 0.0 111.188 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.97 33.25 0.11 Allowed Glycine 0 C--N 1.315 -0.626 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.512 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 27.5 p -78.21 -46.65 19.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.354 0.577 . . . . 0.0 111.192 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 23.7 m -58.1 -48.38 80.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.804 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.59 ' O ' ' HB3' ' X' ' 19' ' ' HIS . 37.1 tp -62.25 -49.71 74.62 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 47.4 t -50.8 -44.46 58.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.99 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.691 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -65.56 -59.12 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.543 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . 0.641 ' HA ' HD11 ' X' ' 21' ' ' LEU . . . -56.23 -48.23 76.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.208 0.528 . . . . 0.0 111.879 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . 0.59 ' HB3' ' O ' ' X' ' 15' ' ' LEU . 2.9 t60 -58.44 -40.48 82.69 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.125 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.543 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.5 OUTLIER -77.91 -21.65 50.87 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 96.7 mt -62.01 -34.3 75.94 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.28 -45.31 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.924 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -67.3 -50.03 61.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.12 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.63 31.97 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.741 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.544 ' O ' HD21 ' X' ' 21' ' ' LEU . 81.8 m-85 -108.73 156.46 19.58 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . 0.473 ' HB2' ' CB ' ' X' ' 39' ' ' ASP . 4.6 mmp_? -107.91 22.17 16.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.133 0.492 . . . . 0.0 110.163 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.08 158.16 17.51 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.158 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -161.77 133.51 3.17 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -146.4 138.96 25.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . 0.517 ' HB3' HG12 ' X' ' 11' ' ' VAL . 52.6 t -90.1 121.75 32.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.105 0.478 . . . . 0.0 110.566 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.432 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 52.1 tptt -134.13 134.08 41.78 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 62.44 34.86 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.613 0.57 . . . . 0.0 109.699 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt 62.97 29.72 16.44 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.385 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 55.0 mt -138.08 132.41 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 110.553 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 35' ' ' CYS . . . . . 0.407 ' HB2' HG23 ' X' ' 2' ' ' THR . 9.6 t -70.35 109.94 5.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.433 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 36' ' ' HIS . . . . . 0.432 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 90.9 m-70 -111.77 113.6 26.06 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 37' ' ' CYS . . . . . 0.507 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 40.3 m -89.14 158.68 17.84 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.375 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -137.63 149.85 46.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 39' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' X' ' 26' ' ' ARG . 0.8 OUTLIER 66.19 83.82 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.409 179.445 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 40' ' ' LYS . . . . . 0.48 ' HB2' ' CE2' ' X' ' 25' ' ' TYR . 28.0 tptp -100.76 113.36 26.2 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.099 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 6.9 p90 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.512 -0.756 . . . . 0.0 110.671 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.739 0.304 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' THR . . . . . 0.402 ' HB ' ' CB ' ' X' ' 35' ' ' CYS . 7.2 p -61.89 -33.08 73.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . 0.539 ' SG ' HG23 ' X' ' 11' ' ' VAL . 12.2 t -155.19 51.27 0.59 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.148 0.499 . . . . 0.0 110.313 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.65 -12.13 18.66 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.336 0.588 . . . . 0.0 110.884 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.516 HD23 ' O ' ' X' ' 5' ' ' LEU . 0.6 OUTLIER -83.28 55.9 3.33 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.914 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.435 ' O ' HG21 ' X' ' 11' ' ' VAL . . . 55.89 -127.41 2.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.575 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' SER . . . . . 0.604 ' HA ' ' HB ' ' X' ' 11' ' ' VAL . 27.9 t -175.7 51.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.444 0.465 . . . . 0.0 110.262 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.74 -46.57 0.14 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.466 -0.874 . . . . 0.0 112.524 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -96.96 50.31 1.09 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.274 0.559 . . . . 0.0 109.945 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.71 10.87 61.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.457 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . 0.604 ' HB ' ' HA ' ' X' ' 7' ' ' SER . 7.3 p 36.95 -109.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 124.061 0.944 . . . . 0.0 112.137 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . 0.478 ' H ' ' CG1' ' X' ' 11' ' ' VAL . . . -127.79 37.26 2.35 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' X' ' 16' ' ' CYS . 11.3 p -64.01 -27.88 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.772 -0.214 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -62.14 -51.89 66.04 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 tp -64.53 -45.08 88.72 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . 0.404 ' HB3' ' HA ' ' X' ' 13' ' ' SER . 48.4 t -51.44 -46.7 63.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.389 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.34 -50.34 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.677 0.275 . . . . 0.0 110.908 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.87 -53.15 60.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.886 0.851 . . . . 0.0 111.551 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . 0.533 ' O ' HG13 ' X' ' 22' ' ' VAL . 76.8 t60 -60.46 -33.43 72.55 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.215 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.538 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 77.4 m -76.22 -36.8 58.4 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.425 HD23 ' O ' ' X' ' 26' ' ' ARG . 49.3 mt -59.87 -47.27 86.42 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' VAL . . . . . 0.533 HG13 ' O ' ' X' ' 19' ' ' HIS . 5.2 p -63.13 -37.79 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.056 0.455 . . . . 0.0 110.713 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -63.74 -50.66 68.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.27 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' GLY . . . . . 0.508 ' O ' ' HD2' ' X' ' 40' ' ' LYS . . . 143.85 36.85 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.266 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.541 ' CZ ' ' HD3' ' X' ' 40' ' ' LYS . 31.3 m-85 -126.65 156.53 40.86 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . 0.699 ' HB2' ' HB2' ' X' ' 39' ' ' ASP . 3.5 mmp_? -71.0 -29.42 65.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.231 0.332 . . . . 0.0 111.381 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.79 -163.15 24.34 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.498 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.97 148.73 13.65 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.831 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -144.54 141.78 29.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -82.79 137.15 34.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.13 0.49 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -151.16 129.33 11.9 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 m120 62.86 37.63 12.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 61.46 31.47 19.03 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.448 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 56.0 mt -139.75 127.04 24.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 35' ' ' CYS . . . . . 0.402 ' CB ' ' HB ' ' X' ' 2' ' ' THR . 1.8 t -72.75 114.57 11.04 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -107.32 121.32 44.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.75 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 37' ' ' CYS . . . . . 0.528 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 87.3 m -75.23 138.83 42.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.102 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -118.7 142.02 48.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.708 0.29 . . . . 0.0 111.278 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 39' ' ' ASP . . . . . 0.699 ' HB2' ' HB2' ' X' ' 26' ' ' ARG . 59.2 m-20 62.88 84.57 0.14 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.534 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 40' ' ' LYS . . . . . 0.541 ' HD3' ' CZ ' ' X' ' 25' ' ' TYR . 28.9 tptp -84.7 132.46 34.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.769 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 41' ' ' PHE . . . . . 0.435 ' HE1' ' HG2' ' X' ' 26' ' ' ARG . 3.4 m-85 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.107 -0.949 . . . . 0.0 109.559 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.782 0.325 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' THR . . . . . 0.781 ' HB ' ' HB3' ' X' ' 15' ' ' LEU . 17.1 p -66.5 -40.03 89.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.545 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 13.2 m -99.37 130.78 45.67 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.164 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . 0.54 ' CG ' ' H ' ' X' ' 5' ' ' LEU . 29.5 t70 -164.42 -133.65 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.54 ' H ' ' CG ' ' X' ' 4' ' ' ASP . 2.4 tt -130.57 -33.7 1.62 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.03 31.8 2.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.849 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' SER . . . . . 0.479 ' HB3' ' C ' ' X' ' 11' ' ' VAL . 8.7 t -93.04 100.52 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.73 -105.41 1.38 Allowed Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -126.11 34.02 4.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.367 0.603 . . . . 0.0 109.381 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.11 -138.45 5.18 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.049 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . 0.482 HG13 ' CB ' ' X' ' 30' ' ' CYS . 55.7 t -71.22 -30.51 40.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.115 0.483 . . . . 0.0 111.123 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.38 41.64 8.33 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.391 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' SER . . . . . 0.711 ' HA ' ' SG ' ' X' ' 30' ' ' CYS . 43.4 m -58.89 -27.34 65.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.904 0.383 . . . . 0.0 110.683 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 15.7 m -60.97 -37.21 81.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.156 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.781 ' HB3' ' HB ' ' X' ' 2' ' ' THR . 3.1 mt -60.5 -42.08 95.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.994 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . 0.554 ' HB2' ' SG ' ' X' ' 30' ' ' CYS . 42.8 t -56.04 -38.65 70.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.818 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -60.39 -54.81 41.14 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.602 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.86 88.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.394 0.616 . . . . 0.0 110.045 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -56.02 -45.39 79.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.72 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.604 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -86.47 -18.73 30.91 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.811 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 67.8 mt -59.19 -35.35 73.43 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -70.17 -41.47 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.76 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -67.62 -47.35 69.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.917 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.34 42.32 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.959 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.604 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 83.3 m-85 -139.2 130.09 26.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -85.95 39.54 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.75 147.89 5.66 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.12 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -160.41 131.19 2.58 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.584 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -131.53 130.27 42.11 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.29 0.566 . . . . 0.0 110.61 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . 0.711 ' SG ' ' HA ' ' X' ' 13' ' ' SER . 89.0 m -80.66 108.35 14.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.216 0.532 . . . . 0.0 110.161 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 tmtp? -121.22 130.46 53.7 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 59.07 36.75 24.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.163 0.506 . . . . 0.0 110.087 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.33 30.3 17.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.966 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 34' ' ' ILE . . . . . 0.415 HG23 ' N ' ' X' ' 35' ' ' CYS . 51.4 mt -137.07 137.79 46.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 35' ' ' CYS . . . . . 0.415 ' N ' HG23 ' X' ' 34' ' ' ILE . 52.8 t -69.45 100.64 1.42 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.84 0.352 . . . . 0.0 110.394 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -101.73 109.25 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 37' ' ' CYS . . . . . 0.459 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 25.7 m -83.49 162.66 20.86 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 -176.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -148.73 154.83 40.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.418 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 68.63 84.92 0.15 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.774 0.672 . . . . 0.0 111.787 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -76.85 145.76 38.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.217 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.384 179.472 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' THR . . . . . 0.709 ' HA ' HD21 ' X' ' 15' ' ' LEU . 57.3 m -78.53 -58.12 3.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.963 0.411 . . . . 0.0 111.997 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . 0.451 ' SG ' HG11 ' X' ' 11' ' ' VAL . 85.2 m -136.2 53.2 1.94 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.255 0.55 . . . . 0.0 111.605 -178.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -94.73 -1.9 52.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.752 0.787 . . . . 0.0 109.91 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.69 36.97 0.95 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.054 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.503 ' HB3' ' H ' ' X' ' 7' ' ' SER . . . 59.9 -127.21 1.13 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' SER . . . . . 0.503 ' H ' ' HB3' ' X' ' 6' ' ' ALA . 32.1 t -169.91 55.37 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.288 0.566 . . . . 0.0 109.835 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.08 -50.07 54.08 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.468 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -168.46 118.74 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.808 0.337 . . . . 0.0 110.618 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.33 61.61 7.21 Favored Glycine 0 CA--C 1.504 -0.638 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.96 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . 0.491 HG23 ' O ' ' X' ' 6' ' ' ALA . 8.5 p -65.81 -168.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . 0.445 ' H ' ' CG2' ' X' ' 11' ' ' VAL . . . -74.71 47.94 1.88 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.554 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -73.24 -41.33 63.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 117.362 0.581 . . . . 0.0 109.994 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 23.6 t -64.38 -41.33 96.74 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.709 HD21 ' HA ' ' X' ' 2' ' ' THR . 16.2 tp -61.89 -43.32 99.09 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.807 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 36.2 t -56.59 -39.7 73.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.331 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -57.27 -49.52 75.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.15 96.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.965 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . 0.404 ' CD2' ' HE3' ' X' ' 23' ' ' LYS . 4.3 t-160 -54.37 -43.2 71.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.554 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 82.6 m -75.51 -36.21 60.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.124 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 88.6 mt -60.29 -39.99 88.89 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 0.0 110.08 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.41 -40.48 88.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.319 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . 0.404 ' HE3' ' CD2' ' X' ' 19' ' ' HIS . 99.6 mttt -69.68 -50.94 39.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.769 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.33 51.59 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.133 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.567 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 85.3 m-85 -130.36 155.7 45.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.756 -0.261 . . . . 0.0 110.723 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -64.8 -33.75 76.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.501 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.28 -169.91 28.48 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.522 -0.846 . . . . 0.0 111.849 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.12 146.24 11.49 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.059 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -149.52 139.31 21.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 m -88.56 142.14 27.94 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.581 0.705 . . . . 0.0 111.852 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.431 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 22.9 tptm -159.98 134.03 7.35 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 32' ' ' ASN . . . . . 0.434 ' O ' HG13 ' X' ' 34' ' ' ILE . 1.1 t-20 64.41 32.3 12.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' X' ' 33' ' ' LYS . 0.3 OUTLIER 61.14 35.57 18.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.144 -179.62 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 34' ' ' ILE . . . . . 0.434 HG13 ' O ' ' X' ' 32' ' ' ASN . 56.0 mt -140.18 134.23 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.353 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.8 110.76 5.12 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 36' ' ' HIS . . . . . 0.431 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.8 m-70 -104.37 119.62 39.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.985 0.422 . . . . 0.0 109.925 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 37' ' ' CYS . . . . . 0.526 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 71.7 m -80.44 135.99 36.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.433 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -89.27 130.03 35.74 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.474 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 49.43 -130.52 1.94 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.053 0.846 . . . . 0.0 112.198 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -173.3 154.5 2.68 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.242 179.3 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.986 0.422 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 18.0 p -76.96 135.24 38.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.994 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . 0.523 ' SG ' HG11 ' X' ' 11' ' ' VAL . 11.3 m 66.51 -135.62 0.15 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 31.0 t70 53.7 30.96 11.93 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.37 0.605 . . . . 0.0 111.668 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' X' ' 5' ' ' LEU . 23.2 tp 53.33 40.91 32.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.105 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.84 45.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.182 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 67.5 m -145.92 50.8 1.17 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.751 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.18 -136.94 18.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.381 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -104.9 126.88 52.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.063 0.459 . . . . 0.0 110.468 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' X' ' 12' ' ' GLY . . . 63.68 32.06 82.88 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.429 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . 0.523 HG11 ' SG ' ' X' ' 3' ' ' CYS . 5.6 t 69.43 -33.73 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.286 0.635 . . . . 0.0 112.592 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' X' ' 10' ' ' GLY . . . 71.58 74.62 0.72 Allowed Glycine 0 N--CA 1.438 -1.215 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' SER . . . . . 0.537 ' HB3' ' HA ' ' X' ' 29' ' ' TYR . 15.6 m -54.76 -18.26 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 33.4 t -58.49 -39.55 80.31 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.64 -42.35 95.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.054 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.16 -38.14 87.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.814 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.594 ' O ' HD13 ' X' ' 21' ' ' LEU . . . -59.77 -50.5 73.57 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.1 86.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.397 0.618 . . . . 0.0 109.708 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -58.75 -39.74 81.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.188 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.583 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 67.8 m -71.46 -36.45 71.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.655 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.594 HD13 ' O ' ' X' ' 17' ' ' ALA . 7.5 mp -57.32 -37.93 73.27 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.839 0.352 . . . . 0.0 110.216 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.63 -43.23 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.263 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -70.37 -43.88 69.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.635 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.34 47.51 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.706 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.648 ' CE2' ' HB3' ' X' ' 40' ' ' LYS . 39.7 m-85 -129.64 157.69 41.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.997 0.427 . . . . 0.0 111.192 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -76.83 -29.82 56.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.19 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.98 -178.89 33.41 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.194 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.6 160.6 34.27 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.977 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . 0.537 ' HA ' ' HB3' ' X' ' 13' ' ' SER . 40.3 p90 -150.47 133.4 16.02 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 t -82.41 131.23 35.22 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.869 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.437 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 43.4 tptt -153.95 130.55 10.7 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.27 40.15 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp 72.27 -22.12 0.22 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 114.915 -1.039 . . . . 0.0 113.101 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.61 133.85 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 42.7 t -75.05 82.04 2.25 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 36' ' ' HIS . . . . . 0.437 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 87.7 m-70 -72.48 125.43 27.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.317 0.58 . . . . 0.0 110.912 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 37' ' ' CYS . . . . . 0.508 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 82.1 m -95.63 149.19 21.72 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.099 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 -131.22 139.52 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 57.86 92.31 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.828 0.705 . . . . 0.0 112.263 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 40' ' ' LYS . . . . . 0.686 ' H ' ' HD3' ' X' ' 40' ' ' LYS . 0.0 OUTLIER -95.26 -171.06 2.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.031 0.443 . . . . 0.0 110.299 178.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.6 p90 . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.953 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.768 0.318 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 1.9 m -71.14 -28.14 64.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.464 0.649 . . . . 0.0 109.986 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . 0.494 ' HA ' HG11 ' X' ' 11' ' ' VAL . 41.2 t -155.12 132.58 11.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.497 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . 0.757 ' HA ' ' HG2' ' X' ' 33' ' ' LYS . 54.9 t0 -162.3 130.95 4.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.003 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.448 ' HA ' HD11 ' X' ' 5' ' ' LEU . 3.0 mm? -68.89 -30.84 69.42 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.285 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.31 54.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.833 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 69.3 m -152.78 40.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.525 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.22 -128.96 31.4 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.336 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -77.89 -16.35 58.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.201 0.525 . . . . 0.0 111.504 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.33 134.44 1.72 Allowed Glycine 0 C--N 1.313 -0.733 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.241 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . 0.629 HG13 ' N ' ' X' ' 12' ' ' GLY . 14.5 p -67.52 -40.08 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.702 0.763 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . 0.629 ' N ' HG13 ' X' ' 11' ' ' VAL . . . -179.22 55.27 0.09 OUTLIER Glycine 0 N--CA 1.438 -1.186 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.515 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 14.6 m -63.22 -29.18 70.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 11.1 m -62.57 -45.52 92.56 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.49 ' O ' ' HB3' ' X' ' 19' ' ' HIS . 19.3 tp -62.97 -47.08 84.71 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.084 177.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 42.4 t -48.68 -45.27 38.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.438 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.631 ' O ' HD13 ' X' ' 21' ' ' LEU . . . -71.93 -59.72 2.6 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.464 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.04 -51.0 33.62 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.362 0.601 . . . . 0.0 112.495 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' X' ' 15' ' ' LEU . 19.2 t60 -60.36 -39.6 87.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.923 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.56 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.1 OUTLIER -75.84 -25.57 56.36 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.631 HD13 ' O ' ' X' ' 17' ' ' ALA . 2.9 mp -58.5 -34.92 71.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 61.3 t -61.67 -45.17 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.529 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -65.41 -52.6 52.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.565 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.87 36.4 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.377 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.56 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 89.1 m-85 -116.54 153.93 31.32 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . 0.543 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.6 mmp_? -99.99 -0.79 38.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.664 0.269 . . . . 0.0 111.59 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.57 -174.9 40.17 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.427 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -175.78 144.61 7.23 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -144.3 149.1 35.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.209 0.505 . . . . 0.0 111.607 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 41.9 t -88.57 126.19 35.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.497 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.461 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 16.1 tppt? -163.27 132.42 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 32' ' ' ASN . . . . . 0.448 ' O ' HG13 ' X' ' 34' ' ' ILE . 4.4 m120 58.3 34.24 23.88 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.377 0.423 . . . . 0.0 111.255 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . 0.757 ' HG2' ' HA ' ' X' ' 4' ' ' ASP . 14.8 mtpt 57.7 37.43 27.29 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.206 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 34' ' ' ILE . . . . . 0.448 HG13 ' O ' ' X' ' 32' ' ' ASN . 46.9 mt -143.22 124.06 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.732 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 t -67.08 100.24 0.74 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 36' ' ' HIS . . . . . 0.461 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.5 m-70 -92.95 103.14 15.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.042 0.448 . . . . 0.0 110.123 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 37' ' ' CYS . . . . . 0.452 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 56.5 m -76.75 144.77 39.03 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.725 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -110.48 142.29 42.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 39' ' ' ASP . . . . . 0.549 ' O ' ' HA ' ' X' ' 25' ' ' TYR . 1.7 m-20 56.95 92.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.982 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 40' ' ' LYS . . . . . 0.532 ' HB2' ' CE2' ' X' ' 25' ' ' TYR . 28.5 tptp -95.95 125.98 40.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.572 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 11.4 p90 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.625 -0.703 . . . . 0.0 110.205 179.808 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . 0.428 ' HB2' ' H ' ' X' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' THR . . . . . 0.578 ' O ' HG11 ' X' ' 11' ' ' VAL . 0.2 OUTLIER -85.75 -25.45 26.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.518 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 12.3 t -158.7 41.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.072 -0.651 . . . . 0.0 112.115 -178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' X' ' 6' ' ' ALA . 14.7 m-20 -82.31 46.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.035 -0.416 . . . . 0.0 111.765 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? 71.49 -40.48 0.48 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.023 0.929 . . . . 0.0 111.324 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' X' ' 4' ' ' ASP . . . -66.36 -6.2 13.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 110.714 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' SER . . . . . 0.449 ' CB ' ' HB ' ' X' ' 11' ' ' VAL . 1.5 p -70.12 -18.54 63.24 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.888 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.11 -126.3 7.82 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.361 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -129.37 44.62 2.94 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.153 0.501 . . . . 0.0 110.514 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.25 -51.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.634 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . 0.578 HG11 ' O ' ' X' ' 2' ' ' THR . 76.8 t -49.5 -41.36 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . -51.04 -41.16 45.2 Favored Glycine 0 C--N 1.321 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 113.822 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 6.4 p -105.41 -34.82 7.7 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' SER . . . . . 0.492 ' C ' ' H ' ' X' ' 16' ' ' CYS . 36.5 t -64.1 -51.63 63.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.498 HD11 HG13 ' X' ' 11' ' ' VAL . 10.7 mt -81.89 37.2 0.47 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.787 0.803 . . . . 0.0 109.265 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . 0.492 ' H ' ' C ' ' X' ' 14' ' ' SER . 2.3 t -143.02 -47.2 0.31 Allowed 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.425 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.627 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -62.93 -51.78 65.58 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.156 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . 0.747 ' HA ' HD13 ' X' ' 21' ' ' LEU . . . -80.2 -48.8 12.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.668 0.747 . . . . 0.0 111.249 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -53.97 -42.24 68.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.037 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.568 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 84.1 m -70.57 -29.5 65.96 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.18 -0.325 . . . . 0.0 111.001 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' X' ' 18' ' ' ALA . 84.6 mt -56.71 -42.88 79.91 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.356 0.598 . . . . 0.0 109.502 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 61.0 t -56.2 -45.02 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.787 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -68.98 -42.02 77.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.132 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.32 45.01 0.14 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.196 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.568 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 42.7 m-85 -131.41 149.94 52.34 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . 0.596 ' HB2' ' HB2' ' X' ' 39' ' ' ASP . 7.5 mmp_? -67.17 -30.94 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.854 0.359 . . . . 0.0 111.0 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.63 -157.42 10.34 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.362 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.59 153.42 21.74 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . 0.488 ' HE2' ' HB3' ' X' ' 38' ' ' ARG . 32.2 p90 -143.44 140.43 30.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.943 0.401 . . . . 0.0 111.636 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 18.9 t -78.98 128.23 33.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.333 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.96 130.47 12.97 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 32' ' ' ASN . . . . . 0.441 ' O ' HG13 ' X' ' 34' ' ' ILE . 6.2 m120 65.02 32.08 10.71 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -177.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . 0.677 ' HA ' ' HE3' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 61.08 39.74 15.84 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.76 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 34' ' ' ILE . . . . . 0.441 HG13 ' O ' ' X' ' 32' ' ' ASN . 24.3 mt -147.54 130.27 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.317 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 35' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' X' ' 2' ' ' THR . 0.1 OUTLIER -69.04 121.73 17.27 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.211 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -114.15 113.65 24.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.919 0.39 . . . . 0.0 110.296 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 37' ' ' CYS . . . . . 0.546 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 90.2 m -67.39 139.88 57.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . 0.514 ' O ' ' HB3' ' X' ' 25' ' ' TYR . 43.1 ptt85 -124.67 146.96 48.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.325 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 39' ' ' ASP . . . . . 0.596 ' HB2' ' HB2' ' X' ' 26' ' ' ARG . 1.7 m-20 66.24 74.79 0.35 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.102 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 40' ' ' LYS . . . . . 0.564 ' HB2' ' CE2' ' X' ' 25' ' ' TYR . 58.0 tptt -82.32 123.65 29.26 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.919 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 41' ' ' PHE . . . . . 0.475 ' HE1' ' HG2' ' X' ' 26' ' ' ARG . 5.6 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.172 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.786 0.327 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' THR . . . . . 0.474 HG22 ' HA ' ' X' ' 16' ' ' CYS . 96.3 m -155.16 -42.16 0.08 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.263 0.554 . . . . 0.0 110.343 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 34.0 m -128.43 44.76 2.89 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.045 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.0 -11.64 60.39 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.701 0.762 . . . . 0.0 110.958 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.425 HD21 ' C ' ' X' ' 5' ' ' LEU . 7.3 tt -139.57 -72.35 0.38 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.936 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.4 ' N ' HD21 ' X' ' 5' ' ' LEU . . . 170.52 35.71 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.978 0.799 . . . . 0.0 110.544 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' SER . . . . . 0.609 ' HB2' ' CA ' ' X' ' 12' ' ' GLY . 11.0 t 56.11 -151.93 0.39 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.86 -47.45 9.6 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -171.71 44.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.14 36.69 0.41 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.834 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 67.22 -50.92 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . 0.609 ' CA ' ' HB2' ' X' ' 7' ' ' SER . . . 132.0 25.37 0.75 Allowed Glycine 0 C--N 1.318 -0.437 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 3.1 p -69.86 -40.8 75.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.735 0.302 . . . . 0.0 111.376 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 15.0 t -64.88 -49.32 70.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.331 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' X' ' 2' ' ' THR . 25.5 tp -60.25 -43.95 95.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . 0.474 ' HA ' HG22 ' X' ' 2' ' ' THR . 38.8 t -50.94 -44.31 60.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.74 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.481 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -63.21 -52.93 60.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . 0.559 ' HA ' HD13 ' X' ' 21' ' ' LEU . . . -57.25 -47.47 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.935 0.874 . . . . 0.0 111.098 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -60.38 -42.67 96.32 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.177 -1.374 . . . . 0.0 111.064 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.524 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 94.5 m -69.64 -31.9 70.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.677 0.275 . . . . 0.0 110.767 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' X' ' 18' ' ' ALA . 81.7 mt -60.11 -36.46 77.48 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.84 -44.97 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.596 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -69.81 -43.43 72.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.794 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 24' ' ' GLY . . . . . 0.593 ' O ' ' HD2' ' X' ' 40' ' ' LYS . . . 133.27 36.49 0.27 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.773 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.524 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 66.9 m-85 -112.32 157.11 21.37 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -63.96 -34.38 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.121 0.486 . . . . 0.0 110.341 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.41 -163.14 25.76 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.97 138.16 5.19 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.361 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . 0.454 ' HE2' ' HB3' ' X' ' 38' ' ' ARG . 44.5 p90 -124.69 131.45 53.46 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 21.1 t -87.76 125.45 34.44 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -136.4 130.31 32.54 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m120 59.65 41.92 17.91 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.714 0.634 . . . . 0.0 110.134 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 61.96 28.97 17.64 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.982 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -136.83 126.57 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.779 0.324 . . . . 0.0 110.307 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 27.1 t -70.95 127.18 31.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.945 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -122.24 112.6 18.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.781 0.324 . . . . 0.0 110.353 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 37' ' ' CYS . . . . . 0.513 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 84.5 m -72.06 133.43 45.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.218 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . 0.454 ' HB3' ' HE2' ' X' ' 29' ' ' TYR . 24.9 ptt-85 -113.75 128.86 56.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.952 0.406 . . . . 0.0 111.814 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 t0 59.73 120.1 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.457 -1.247 . . . . 0.0 113.374 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 40' ' ' LYS . . . . . 0.593 ' HD2' ' O ' ' X' ' 24' ' ' GLY . 29.0 tptp -97.83 129.29 44.81 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.754 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 24.9 p90 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.253 179.529 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' THR . . . . . 0.725 ' HA ' HD21 ' X' ' 15' ' ' LEU . 2.4 m -71.45 -51.82 21.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . 0.648 ' SG ' HG21 ' X' ' 11' ' ' VAL . 15.0 t -154.29 29.74 0.44 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.482 0.658 . . . . 0.0 110.431 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -85.04 50.15 1.88 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.688 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.479 HD12 ' C ' ' X' ' 5' ' ' LEU . 2.9 tm? 71.48 -47.85 0.67 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.604 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.82 71.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.107 0.48 . . . . 0.0 111.789 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' SER . . . . . 0.898 ' HB3' ' HA ' ' X' ' 11' ' ' VAL . 3.0 t -142.38 -37.35 0.39 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.24 -162.95 24.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.729 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -82.95 49.75 1.58 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.302 1.048 . . . . 0.0 110.125 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.43 39.38 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 107.478 -2.249 . . . . 0.0 107.478 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . 0.898 ' HA ' ' HB3' ' X' ' 7' ' ' SER . 3.1 p -47.21 134.06 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 CA-C-N 113.411 -1.394 . . . . 0.0 113.168 -177.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . 0.508 ' HA3' ' SG ' ' X' ' 3' ' ' CYS . . . 72.43 -51.75 1.44 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 113.453 -1.703 . . . . 0.0 113.846 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 13' ' ' SER . . . . . 0.676 ' HA ' ' HA ' ' X' ' 29' ' ' TYR . 22.6 t -52.62 -51.2 61.07 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 18.4 m -61.41 -55.76 27.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . 0.725 HD21 ' HA ' ' X' ' 2' ' ' THR . 53.5 tp -61.23 -50.54 72.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.746 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 8.0 t -52.81 -40.15 63.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.414 ' HA ' ' N ' ' X' ' 28' ' ' GLY . . . -65.47 -51.12 62.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.928 0.394 . . . . 0.0 111.154 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -51.06 68.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.838 0.827 . . . . 0.0 111.711 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -61.1 -45.57 94.17 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.019 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -72.01 -21.56 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.683 -179.663 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.634 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 4.9 mt -61.36 -36.23 79.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.92 -43.92 89.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.057 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.01 -46.94 88.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.564 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.05 -3.0 0.46 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.375 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.634 ' O ' ' HA ' ' X' ' 21' ' ' LEU . 28.5 m-85 -87.83 157.88 18.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . 0.718 ' HG2' ' HB2' ' X' ' 39' ' ' ASP . 0.0 OUTLIER -71.36 -24.15 62.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.58 -140.65 5.82 Favored Glycine 0 N--CA 1.439 -1.111 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.306 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . 0.414 ' N ' ' HA ' ' X' ' 17' ' ' ALA . . . 177.06 -157.07 21.77 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.705 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . 0.676 ' HA ' ' HA ' ' X' ' 13' ' ' SER . 47.6 p90 -170.77 -170.9 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . 0.48 ' HB2' ' HA3' ' X' ' 12' ' ' GLY . 41.8 t -129.76 138.17 50.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.995 0.426 . . . . 0.0 109.98 178.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -141.44 122.86 14.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.81 37.17 12.55 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.532 0.52 . . . . 0.0 109.649 -177.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . 0.668 ' HE3' ' HA ' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 60.61 37.21 19.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.298 -179.501 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 36.6 mt -141.71 123.52 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.39 131.74 47.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.242 0.544 . . . . 0.0 111.227 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -136.54 123.11 20.93 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 37' ' ' CYS . . . . . . . . . . . . . 38.0 m -82.02 165.02 21.02 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.915 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -151.52 148.67 28.31 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.275 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 39' ' ' ASP . . . . . 0.718 ' HB2' ' HG2' ' X' ' 26' ' ' ARG . 57.5 m-20 59.84 86.58 0.09 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.216 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -89.03 131.46 35.19 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.54 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.916 179.301 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 5.0 m -61.13 -52.33 65.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.002 0.429 . . . . 0.0 111.848 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' X' ' 35' ' ' CYS . 1.8 p -162.55 151.31 14.87 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.55 0.69 . . . . 0.0 111.454 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' ASP . . . . . 0.428 ' C ' ' HB3' ' X' ' 33' ' ' LYS . 6.6 t70 -170.85 -149.11 0.06 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.167 -1.379 . . . . 0.0 107.312 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.642 HD11 ' HG3' ' X' ' 33' ' ' LYS . 3.9 mm? -77.2 -21.93 53.14 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.895 0.378 . . . . 0.0 110.604 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -23.76 67.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.811 0.815 . . . . 0.0 109.892 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' SER . . . . . 0.437 ' HB3' ' HB ' ' X' ' 11' ' ' VAL . 4.8 m -76.65 142.29 40.67 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.156 -1.384 . . . . 0.0 110.001 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.21 82.67 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.428 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -139.79 -132.84 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.95 -6.31 72.88 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.384 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' VAL . . . . . 0.622 ' CG1' ' HB3' ' X' ' 3' ' ' CYS . 8.9 p 39.41 -133.34 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 124.39 1.076 . . . . 0.0 112.165 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' GLY . . . . . 0.427 ' H ' ' CG2' ' X' ' 11' ' ' VAL . . . -76.05 67.86 2.36 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.72 -0.276 . . . . 0.0 112.832 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 19.9 m -62.01 -36.87 82.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 70.4 m -67.45 -33.05 74.34 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.871 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 22.1 tp -63.96 -43.14 96.68 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 t -49.84 -44.31 49.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.425 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.662 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -66.62 -55.86 13.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 178.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -52.59 -52.38 55.48 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.828 0.823 . . . . 0.0 112.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -56.96 -43.87 82.01 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.269 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 20' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.4 OUTLIER -75.32 -22.27 57.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' X' ' 18' ' ' ALA . 96.6 mt -59.71 -39.89 86.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.47 -44.36 98.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.453 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -62.93 -52.38 63.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.926 -1.033 . . . . 0.0 111.188 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.77 43.81 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.979 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' X' ' 40' ' ' LYS . 31.4 m-85 -125.67 157.12 38.09 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.8 mmp_? -86.54 -17.79 33.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.036 0.445 . . . . 0.0 111.288 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.89 -159.92 14.44 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.14 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . 165.43 149.75 5.98 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.545 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 29' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' X' ' 31' ' ' LYS . 46.8 p90 -161.0 141.05 10.96 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.771 0.319 . . . . 0.0 110.376 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 64.1 m -75.69 117.58 17.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.488 ' HB2' ' CE2' ' X' ' 29' ' ' TYR . 11.2 tmtt? -130.71 137.94 49.76 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 32' ' ' ASN . . . . . 0.446 ' N ' ' HD3' ' X' ' 31' ' ' LYS . 23.9 p30 50.93 39.22 22.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.649 0.738 . . . . 0.0 109.371 -176.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 33' ' ' LYS . . . . . 0.642 ' HG3' HD11 ' X' ' 5' ' ' LEU . 0.0 OUTLIER 76.23 -27.98 0.18 Allowed 'General case' 0 C--N 1.347 0.467 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.995 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.15 135.5 24.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 35' ' ' CYS . . . . . 0.627 ' HB2' ' SG ' ' X' ' 3' ' ' CYS . 6.6 t -69.31 100.4 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 36' ' ' HIS . . . . . 0.422 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.7 m-70 -97.0 106.04 18.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.2 0.524 . . . . 0.0 109.723 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 37' ' ' CYS . . . . . 0.448 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 66.9 m -75.05 144.27 43.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.83 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -99.97 120.83 40.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 39' ' ' ASP . . . . . 0.45 ' O ' ' HA ' ' X' ' 25' ' ' TYR . 39.0 t70 59.04 126.31 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 O-C-N 124.511 1.132 . . . . 0.0 113.283 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 40' ' ' LYS . . . . . 0.621 ' HB3' ' CE2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -119.15 37.4 4.15 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.824 178.839 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.251 1.132 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.08 179.668 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 16' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 47.4 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.714 0.292 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.705 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -65.56 -59.12 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.543 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 18' ' ' ALA . . . . . 0.542 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -56.23 -48.23 76.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.208 0.528 . . . . 0.0 111.879 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -58.44 -40.48 82.69 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.125 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.5 OUTLIER -77.91 -21.65 50.87 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 96.7 mt -62.01 -34.3 75.94 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.28 -45.31 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.924 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -67.3 -50.03 61.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.12 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.63 31.97 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.741 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.555 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 81.8 m-85 -108.73 156.46 19.58 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 26' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' X' ' 39' ' ' ASP . 4.6 mmp_? -107.91 22.17 16.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.133 0.492 . . . . 0.0 110.163 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.08 158.16 17.51 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.158 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 28' ' ' GLY . . . . . 0.54 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -161.77 133.51 3.17 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -146.4 138.96 25.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 52.6 t -90.1 121.75 32.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.105 0.478 . . . . 0.0 110.566 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -134.13 134.08 41.78 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 62.44 34.86 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.613 0.57 . . . . 0.0 109.699 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt 62.97 29.72 16.44 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.385 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 55.0 mt -138.08 132.41 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 110.553 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 9.6 t -70.35 109.94 5.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.433 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -111.77 113.6 26.06 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 37' ' ' CYS . . . . . 0.54 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 40.3 m -89.14 158.68 17.84 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.375 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -137.63 149.85 46.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 39' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' X' ' 26' ' ' ARG . 0.8 OUTLIER 66.19 83.82 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.409 179.445 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 40' ' ' LYS . . . . . 0.484 ' HB2' ' CE2' ' X' ' 25' ' ' TYR . 28.0 tptp -100.76 113.36 26.2 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.099 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 6.9 p90 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.512 -0.756 . . . . 0.0 110.671 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.34 -50.34 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.677 0.275 . . . . 0.0 110.908 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.87 -53.15 60.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.886 0.851 . . . . 0.0 111.551 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.46 -33.43 72.55 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.215 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 77.4 m -76.22 -36.8 58.4 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 49.3 mt -59.87 -47.27 86.42 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 5.2 p -63.13 -37.79 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.056 0.455 . . . . 0.0 110.713 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -63.74 -50.66 68.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.27 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 24' ' ' GLY . . . . . 0.525 ' O ' ' HD2' ' X' ' 40' ' ' LYS . . . 143.85 36.85 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.266 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.559 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 31.3 m-85 -126.65 156.53 40.86 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 26' ' ' ARG . . . . . 0.726 ' HB2' ' HB2' ' X' ' 39' ' ' ASP . 3.5 mmp_? -71.0 -29.42 65.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.231 0.332 . . . . 0.0 111.381 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.79 -163.15 24.34 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.498 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.97 148.73 13.65 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.831 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -144.54 141.78 29.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -82.79 137.15 34.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.13 0.49 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' X' ' 31' ' ' LYS . 43.9 tptt -151.16 129.33 11.9 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 62.86 37.63 12.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 61.46 31.47 19.03 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.448 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 56.0 mt -139.75 127.04 24.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.75 114.57 11.04 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -107.32 121.32 44.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.75 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 37' ' ' CYS . . . . . 0.537 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 87.3 m -75.23 138.83 42.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.102 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -118.7 142.02 48.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.708 0.29 . . . . 0.0 111.278 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 39' ' ' ASP . . . . . 0.726 ' HB2' ' HB2' ' X' ' 26' ' ' ARG . 59.2 m-20 62.88 84.57 0.14 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.534 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 40' ' ' LYS . . . . . 0.546 ' HD3' ' CZ ' ' X' ' 25' ' ' TYR . 28.9 tptp -84.7 132.46 34.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.769 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 41' ' ' PHE . . . . . 0.429 ' HE1' ' HG2' ' X' ' 26' ' ' ARG . 3.4 m-85 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.107 -0.949 . . . . 0.0 109.559 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 16' ' ' CYS . . . . . 0.573 ' HB2' ' SG ' ' X' ' 30' ' ' CYS . 42.8 t . . . . . 0 C--O 1.233 0.188 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -60.39 -54.81 41.14 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.602 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 18' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -64.05 -37.86 88.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.394 0.616 . . . . 0.0 110.045 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.02 -45.39 79.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.72 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -86.47 -18.73 30.91 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.811 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 67.8 mt -59.19 -35.35 73.43 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -70.17 -41.47 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.76 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -67.62 -47.35 69.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.917 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.34 42.32 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.959 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.618 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 83.3 m-85 -139.2 130.09 26.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -85.95 39.54 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.75 147.89 5.66 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.12 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 28' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -160.41 131.19 2.58 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.584 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -131.53 130.27 42.11 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.29 0.566 . . . . 0.0 110.61 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 30' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' X' ' 16' ' ' CYS . 89.0 m -80.66 108.35 14.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.216 0.532 . . . . 0.0 110.161 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 tmtp? -121.22 130.46 53.7 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 59.07 36.75 24.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.163 0.506 . . . . 0.0 110.087 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.33 30.3 17.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.966 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -137.07 137.79 46.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 52.8 t -69.45 100.64 1.42 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.84 0.352 . . . . 0.0 110.394 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -101.73 109.25 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 37' ' ' CYS . . . . . 0.486 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 25.7 m -83.49 162.66 20.86 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 -176.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -148.73 154.83 40.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.418 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 68.63 84.92 0.15 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.774 0.672 . . . . 0.0 111.787 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -76.85 145.76 38.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.217 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.384 179.472 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.552 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -57.27 -49.52 75.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 18' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -64.42 -42.15 96.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.965 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -54.37 -43.2 71.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.554 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 82.6 m -75.51 -36.21 60.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.124 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 88.6 mt -60.29 -39.99 88.89 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 0.0 110.08 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 22' ' ' VAL . . . . . 0.41 HG23 ' O ' ' X' ' 18' ' ' ALA . 74.6 t -62.41 -40.48 88.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.319 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.68 -50.94 39.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.769 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.33 51.59 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.133 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.593 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 85.3 m-85 -130.36 155.7 45.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.756 -0.261 . . . . 0.0 110.723 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -64.8 -33.75 76.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.501 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.28 -169.91 28.48 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.522 -0.846 . . . . 0.0 111.849 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.12 146.24 11.49 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.059 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -149.52 139.31 21.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 m -88.56 142.14 27.94 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.581 0.705 . . . . 0.0 111.852 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.464 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 22.9 tptm -159.98 134.03 7.35 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 32' ' ' ASN . . . . . 0.433 ' O ' HG13 ' X' ' 34' ' ' ILE . 52.0 t30 64.41 32.3 12.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.14 35.57 18.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.144 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 34' ' ' ILE . . . . . 0.433 HG13 ' O ' ' X' ' 32' ' ' ASN . 56.0 mt -140.18 134.23 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.353 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.8 110.76 5.12 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 36' ' ' HIS . . . . . 0.464 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.8 m-70 -104.37 119.62 39.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.985 0.422 . . . . 0.0 109.925 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 37' ' ' CYS . . . . . 0.533 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 71.7 m -80.44 135.99 36.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.433 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -89.27 130.03 35.74 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.474 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 49.43 -130.52 1.94 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.053 0.846 . . . . 0.0 112.198 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -173.3 154.5 2.68 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.242 179.3 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 16' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' X' ' 19' ' ' HIS . 49.6 t . . . . . 0 N--CA 1.456 -0.128 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.5 73.57 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.1 86.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.397 0.618 . . . . 0.0 109.708 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 19' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' X' ' 16' ' ' CYS . 9.1 t-160 -58.75 -39.74 81.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.188 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.615 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 67.8 m -71.46 -36.45 71.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.655 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -57.32 -37.93 73.27 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.839 0.352 . . . . 0.0 110.216 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.63 -43.23 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.263 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -70.37 -43.88 69.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.635 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.34 47.51 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.706 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.66 ' CE2' ' HB3' ' X' ' 40' ' ' LYS . 39.7 m-85 -129.64 157.69 41.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.997 0.427 . . . . 0.0 111.192 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -76.83 -29.82 56.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.19 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.98 -178.89 33.41 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.194 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.6 160.6 34.27 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.977 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -150.47 133.4 16.02 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 t -82.41 131.23 35.22 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.869 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -153.95 130.55 10.7 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.27 40.15 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp 72.27 -22.12 0.22 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 114.915 -1.039 . . . . 0.0 113.101 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.61 133.85 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 42.7 t -75.05 82.04 2.25 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -72.48 125.43 27.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.317 0.58 . . . . 0.0 110.912 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 37' ' ' CYS . . . . . 0.523 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 82.1 m -95.63 149.19 21.72 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.099 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 -131.22 139.52 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 57.86 92.31 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.828 0.705 . . . . 0.0 112.263 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 40' ' ' LYS . . . . . 0.777 ' H ' ' HD3' ' X' ' 40' ' ' LYS . 0.0 OUTLIER -95.26 -171.06 2.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.031 0.443 . . . . 0.0 110.299 178.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.6 p90 . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.953 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 16' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 42.4 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.894 0.378 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.93 -59.72 2.6 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.464 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.04 -51.0 33.62 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.362 0.601 . . . . 0.0 112.495 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -60.36 -39.6 87.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.923 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.57 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.1 OUTLIER -75.84 -25.57 56.36 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.558 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 2.9 mp -58.5 -34.92 71.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 61.3 t -61.67 -45.17 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.529 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -65.41 -52.6 52.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.565 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.87 36.4 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.377 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.57 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 89.1 m-85 -116.54 153.93 31.32 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 26' ' ' ARG . . . . . 0.542 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.6 mmp_? -99.99 -0.79 38.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.664 0.269 . . . . 0.0 111.59 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.57 -174.9 40.17 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.427 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 28' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -175.78 144.61 7.23 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -144.3 149.1 35.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.209 0.505 . . . . 0.0 111.607 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 41.9 t -88.57 126.19 35.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.497 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -163.27 132.42 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 32' ' ' ASN . . . . . 0.452 ' O ' HG13 ' X' ' 34' ' ' ILE . 70.6 m-20 58.3 34.24 23.88 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.377 0.423 . . . . 0.0 111.255 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt 57.7 37.43 27.29 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.206 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 34' ' ' ILE . . . . . 0.452 HG13 ' O ' ' X' ' 32' ' ' ASN . 46.9 mt -143.22 124.06 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.732 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 t -67.08 100.24 0.74 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -92.95 103.14 15.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.042 0.448 . . . . 0.0 110.123 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 37' ' ' CYS . . . . . 0.48 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 56.5 m -76.75 144.77 39.03 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.725 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -110.48 142.29 42.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 39' ' ' ASP . . . . . 0.56 ' O ' ' HA ' ' X' ' 25' ' ' TYR . 1.7 m-20 56.95 92.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.982 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 40' ' ' LYS . . . . . 0.537 ' HB2' ' CE2' ' X' ' 25' ' ' TYR . 28.5 tptp -95.95 125.98 40.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.572 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 11.4 p90 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.625 -0.703 . . . . 0.0 110.205 179.808 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.438 -1.057 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.633 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -62.93 -51.78 65.58 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.156 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 18' ' ' ALA . . . . . 0.661 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -80.2 -48.8 12.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.668 0.747 . . . . 0.0 111.249 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -53.97 -42.24 68.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.037 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 84.1 m -70.57 -29.5 65.96 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.18 -0.325 . . . . 0.0 111.001 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' X' ' 18' ' ' ALA . 84.6 mt -56.71 -42.88 79.91 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.356 0.598 . . . . 0.0 109.502 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 61.0 t -56.2 -45.02 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.787 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -68.98 -42.02 77.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.132 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.32 45.01 0.14 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.196 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.6 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 42.7 m-85 -131.41 149.94 52.34 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 26' ' ' ARG . . . . . 0.604 ' HB2' ' HB2' ' X' ' 39' ' ' ASP . 7.5 mmp_? -67.17 -30.94 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.854 0.359 . . . . 0.0 111.0 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.63 -157.42 10.34 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.362 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.59 153.42 21.74 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 29' ' ' TYR . . . . . 0.51 ' HE2' ' HB3' ' X' ' 38' ' ' ARG . 32.2 p90 -143.44 140.43 30.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.943 0.401 . . . . 0.0 111.636 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 18.9 t -78.98 128.23 33.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.333 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.96 130.47 12.97 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 32' ' ' ASN . . . . . 0.441 ' O ' HG13 ' X' ' 34' ' ' ILE . 6.2 m120 65.02 32.08 10.71 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -177.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 33' ' ' LYS . . . . . 0.687 ' HA ' ' HE3' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 61.08 39.74 15.84 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.76 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 34' ' ' ILE . . . . . 0.441 HG13 ' O ' ' X' ' 32' ' ' ASN . 24.3 mt -147.54 130.27 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.317 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.04 121.73 17.27 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -114.15 113.65 24.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.919 0.39 . . . . 0.0 110.296 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 37' ' ' CYS . . . . . 0.556 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 90.2 m -67.39 139.88 57.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 38' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' X' ' 25' ' ' TYR . 43.1 ptt85 -124.67 146.96 48.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.325 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 39' ' ' ASP . . . . . 0.604 ' HB2' ' HB2' ' X' ' 26' ' ' ARG . 1.7 m-20 66.24 74.79 0.35 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.102 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 40' ' ' LYS . . . . . 0.571 ' HD3' ' CZ ' ' X' ' 25' ' ' TYR . 58.0 tptt -82.32 123.65 29.26 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.919 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 41' ' ' PHE . . . . . 0.494 ' HE1' ' HG2' ' X' ' 26' ' ' ARG . 5.6 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.172 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.469 0.176 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -63.21 -52.93 60.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 18' ' ' ALA . . . . . 0.594 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -57.25 -47.47 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.935 0.874 . . . . 0.0 111.098 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -60.38 -42.67 96.32 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.177 -1.374 . . . . 0.0 111.064 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.547 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 94.5 m -69.64 -31.9 70.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.677 0.275 . . . . 0.0 110.767 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' X' ' 18' ' ' ALA . 81.7 mt -60.11 -36.46 77.48 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.84 -44.97 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.596 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -69.81 -43.43 72.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.794 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 24' ' ' GLY . . . . . 0.602 ' O ' ' HD2' ' X' ' 40' ' ' LYS . . . 133.27 36.49 0.27 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.773 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.547 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 66.9 m-85 -112.32 157.11 21.37 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 26' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.0 mmp_? -63.96 -34.38 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.121 0.486 . . . . 0.0 110.341 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.41 -163.14 25.76 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.97 138.16 5.19 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.361 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 29' ' ' TYR . . . . . 0.468 ' HE2' ' HB3' ' X' ' 38' ' ' ARG . 44.5 p90 -124.69 131.45 53.46 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 21.1 t -87.76 125.45 34.44 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -136.4 130.31 32.54 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m120 59.65 41.92 17.91 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.714 0.634 . . . . 0.0 110.134 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 61.96 28.97 17.64 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.982 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -136.83 126.57 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.779 0.324 . . . . 0.0 110.307 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 27.1 t -70.95 127.18 31.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.945 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -122.24 112.6 18.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.781 0.324 . . . . 0.0 110.353 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 37' ' ' CYS . . . . . 0.523 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 84.5 m -72.06 133.43 45.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.218 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 38' ' ' ARG . . . . . 0.468 ' HB3' ' HE2' ' X' ' 29' ' ' TYR . 24.9 ptt-85 -113.75 128.86 56.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.952 0.406 . . . . 0.0 111.814 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 t0 59.73 120.1 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.457 -1.247 . . . . 0.0 113.374 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 40' ' ' LYS . . . . . 0.602 ' HD2' ' O ' ' X' ' 24' ' ' GLY . 29.0 tptp -97.83 129.29 44.81 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.754 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 24.9 p90 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.253 179.529 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 16' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 8.0 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.426 0.155 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.411 ' HA ' ' N ' ' X' ' 28' ' ' GLY . . . -65.47 -51.12 62.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.928 0.394 . . . . 0.0 111.154 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -51.06 68.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.838 0.827 . . . . 0.0 111.711 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -61.1 -45.57 94.17 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.019 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -72.01 -21.56 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.683 -179.663 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.635 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 4.9 mt -61.36 -36.23 79.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.92 -43.92 89.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.057 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.01 -46.94 88.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.564 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.05 -3.0 0.46 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.375 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.635 ' O ' ' HA ' ' X' ' 21' ' ' LEU . 28.5 m-85 -87.83 157.88 18.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 26' ' ' ARG . . . . . 0.762 ' HG2' ' HB2' ' X' ' 39' ' ' ASP . 0.0 OUTLIER -71.36 -24.15 62.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.58 -140.65 5.82 Favored Glycine 0 N--CA 1.439 -1.111 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.306 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 28' ' ' GLY . . . . . 0.411 ' N ' ' HA ' ' X' ' 17' ' ' ALA . . . 177.06 -157.07 21.77 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.705 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -170.77 -170.9 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -129.76 138.17 50.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.995 0.426 . . . . 0.0 109.98 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -141.44 122.86 14.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 62.81 37.17 12.55 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.532 0.52 . . . . 0.0 109.649 -177.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 33' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 60.61 37.21 19.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.298 -179.501 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 36.6 mt -141.71 123.52 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.39 131.74 47.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.242 0.544 . . . . 0.0 111.227 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -136.54 123.11 20.93 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 37' ' ' CYS . . . . . . . . . . . . . 38.0 m -82.02 165.02 21.02 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.915 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -151.52 148.67 28.31 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.275 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 39' ' ' ASP . . . . . 0.762 ' HB2' ' HG2' ' X' ' 26' ' ' ARG . 57.5 m-20 59.84 86.58 0.09 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.216 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 40' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 27.5 tptp -89.03 131.46 35.19 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.54 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.916 179.301 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 t . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 120.805 0.336 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.676 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -66.62 -55.86 13.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 178.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 18' ' ' ALA . . . . . 0.647 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -52.59 -52.38 55.48 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.828 0.823 . . . . 0.0 112.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -56.96 -43.87 82.01 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.269 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 20' ' ' CYS . . . . . 0.581 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.4 OUTLIER -75.32 -22.27 57.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 96.6 mt -59.71 -39.89 86.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.47 -44.36 98.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.453 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -62.93 -52.38 63.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.926 -1.033 . . . . 0.0 111.188 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.77 43.81 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.979 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.632 ' CE2' ' HB3' ' X' ' 40' ' ' LYS . 31.4 m-85 -125.67 157.12 38.09 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.8 mmp_? -86.54 -17.79 33.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.036 0.445 . . . . 0.0 111.288 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.89 -159.92 14.44 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.14 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 28' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . 165.43 149.75 5.98 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.545 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 29' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' X' ' 31' ' ' LYS . 46.8 p90 -161.0 141.05 10.96 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.771 0.319 . . . . 0.0 110.376 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 64.1 m -75.69 117.58 17.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' X' ' 29' ' ' TYR . 11.2 tmtt? -130.71 137.94 49.76 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 32' ' ' ASN . . . . . 0.458 ' N ' ' HD3' ' X' ' 31' ' ' LYS . 23.9 p30 50.93 39.22 22.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.649 0.738 . . . . 0.0 109.371 -176.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 33' ' ' LYS . . . . . 0.589 ' HE3' ' HA ' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 76.23 -27.98 0.18 Allowed 'General case' 0 C--N 1.347 0.467 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.995 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.15 135.5 24.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.31 100.4 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 36' ' ' HIS . . . . . 0.454 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.7 m-70 -97.0 106.04 18.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.2 0.524 . . . . 0.0 109.723 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 37' ' ' CYS . . . . . 0.482 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 66.9 m -75.05 144.27 43.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.83 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -99.97 120.83 40.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 39' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' X' ' 25' ' ' TYR . 39.0 t70 59.04 126.31 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 O-C-N 124.511 1.132 . . . . 0.0 113.283 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 40' ' ' LYS . . . . . 0.632 ' HB3' ' CE2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -119.15 37.4 4.15 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.824 178.839 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.251 1.132 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.08 179.668 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.881 0.372 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 22.6 m -71.11 -42.73 68.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.836 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' X' ' 11' ' ' VAL . 45.1 m -99.46 141.37 32.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.844 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 4' ' ' ASP . . . . . 0.46 ' CG ' ' H ' ' X' ' 5' ' ' LEU . 17.4 t70 -153.01 -137.52 0.07 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.509 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.46 ' H ' ' CG ' ' X' ' 4' ' ' ASP . 3.0 tm? -126.62 -45.45 1.63 Allowed 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.3 33.46 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.373 0.606 . . . . 0.0 110.397 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -81.88 54.94 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.078 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.54 45.6 89.01 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 59.33 49.88 8.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.516 0.674 . . . . 0.0 109.835 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.88 -128.54 1.0 Allowed Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.715 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 11' ' ' VAL . . . . . 0.625 HG13 ' HB3' ' X' ' 30' ' ' CYS . 10.7 p -139.65 -35.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.018 0.437 . . . . 0.0 111.188 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.97 33.25 0.11 Allowed Glycine 0 C--N 1.315 -0.626 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.512 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 27.5 p -78.21 -46.65 19.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.354 0.577 . . . . 0.0 111.192 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 23.7 m -58.1 -48.38 80.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.804 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.604 ' O ' ' HB3' ' X' ' 19' ' ' HIS . 37.1 tp -62.25 -49.71 74.62 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 16' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 47.4 t -50.8 -44.46 58.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.99 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.705 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -65.56 -59.12 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.543 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 18' ' ' ALA . . . . . 0.542 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -56.23 -48.23 76.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.208 0.528 . . . . 0.0 111.879 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 19' ' ' HIS . . . . . 0.604 ' HB3' ' O ' ' X' ' 15' ' ' LEU . 2.9 t60 -58.44 -40.48 82.69 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.125 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.5 OUTLIER -77.91 -21.65 50.87 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 96.7 mt -62.01 -34.3 75.94 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.28 -45.31 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.924 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -67.3 -50.03 61.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.12 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.63 31.97 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.741 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.555 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 81.8 m-85 -108.73 156.46 19.58 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 26' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' X' ' 39' ' ' ASP . 4.6 mmp_? -107.91 22.17 16.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.133 0.492 . . . . 0.0 110.163 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.08 158.16 17.51 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.158 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 28' ' ' GLY . . . . . 0.54 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -161.77 133.51 3.17 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -146.4 138.96 25.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 30' ' ' CYS . . . . . 0.625 ' HB3' HG13 ' X' ' 11' ' ' VAL . 52.6 t -90.1 121.75 32.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.105 0.478 . . . . 0.0 110.566 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -134.13 134.08 41.78 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 62.44 34.86 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.613 0.57 . . . . 0.0 109.699 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt 62.97 29.72 16.44 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.385 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 55.0 mt -138.08 132.41 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 110.553 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 9.6 t -70.35 109.94 5.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.433 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -111.77 113.6 26.06 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 37' ' ' CYS . . . . . 0.54 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 40.3 m -89.14 158.68 17.84 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.375 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -137.63 149.85 46.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 39' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' X' ' 26' ' ' ARG . 0.8 OUTLIER 66.19 83.82 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.409 179.445 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 40' ' ' LYS . . . . . 0.484 ' HB2' ' CE2' ' X' ' 25' ' ' TYR . 28.0 tptp -100.76 113.36 26.2 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.099 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 6.9 p90 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.512 -0.756 . . . . 0.0 110.671 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.739 0.304 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 2' ' ' THR . . . . . 0.521 ' HA ' HD23 ' X' ' 15' ' ' LEU . 7.2 p -61.89 -33.08 73.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 3' ' ' CYS . . . . . 0.605 ' SG ' HG21 ' X' ' 11' ' ' VAL . 12.2 t -155.19 51.27 0.59 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.148 0.499 . . . . 0.0 110.313 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.65 -12.13 18.66 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.336 0.588 . . . . 0.0 110.884 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.28 55.9 3.33 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.914 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.89 -127.41 2.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.575 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 7' ' ' SER . . . . . 0.617 ' HA ' ' HB ' ' X' ' 11' ' ' VAL . 27.9 t -175.7 51.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.444 0.465 . . . . 0.0 110.262 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.74 -46.57 0.14 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.466 -0.874 . . . . 0.0 112.524 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -96.96 50.31 1.09 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.274 0.559 . . . . 0.0 109.945 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.71 10.87 61.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.457 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 11' ' ' VAL . . . . . 0.703 HG13 ' H ' ' X' ' 12' ' ' GLY . 7.3 p 36.95 -109.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 124.061 0.944 . . . . 0.0 112.137 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 12' ' ' GLY . . . . . 0.703 ' H ' HG13 ' X' ' 11' ' ' VAL . . . -127.79 37.26 2.35 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 13' ' ' SER . . . . . 0.428 ' HA ' ' HB3' ' X' ' 16' ' ' CYS . 11.3 p -64.01 -27.88 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.772 -0.214 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -62.14 -51.89 66.04 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' X' ' 2' ' ' THR . 19.1 tp -64.53 -45.08 88.72 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 16' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' X' ' 13' ' ' SER . 48.4 t -51.44 -46.7 63.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.389 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.34 -50.34 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.677 0.275 . . . . 0.0 110.908 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.87 -53.15 60.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.886 0.851 . . . . 0.0 111.551 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.46 -33.43 72.55 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.215 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 77.4 m -76.22 -36.8 58.4 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 49.3 mt -59.87 -47.27 86.42 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 5.2 p -63.13 -37.79 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.056 0.455 . . . . 0.0 110.713 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -63.74 -50.66 68.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.27 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 24' ' ' GLY . . . . . 0.525 ' O ' ' HD2' ' X' ' 40' ' ' LYS . . . 143.85 36.85 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.266 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.559 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 31.3 m-85 -126.65 156.53 40.86 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 26' ' ' ARG . . . . . 0.726 ' HB2' ' HB2' ' X' ' 39' ' ' ASP . 3.5 mmp_? -71.0 -29.42 65.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.231 0.332 . . . . 0.0 111.381 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.79 -163.15 24.34 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.498 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.97 148.73 13.65 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.831 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -144.54 141.78 29.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -82.79 137.15 34.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.13 0.49 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' X' ' 31' ' ' LYS . 43.9 tptt -151.16 129.33 11.9 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 62.86 37.63 12.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 61.46 31.47 19.03 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.448 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 56.0 mt -139.75 127.04 24.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 35' ' ' CYS . . . . . 0.413 ' CB ' ' HB ' ' X' ' 2' ' ' THR . 1.8 t -72.75 114.57 11.04 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -107.32 121.32 44.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.75 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 37' ' ' CYS . . . . . 0.537 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 87.3 m -75.23 138.83 42.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.102 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -118.7 142.02 48.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.708 0.29 . . . . 0.0 111.278 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 39' ' ' ASP . . . . . 0.726 ' HB2' ' HB2' ' X' ' 26' ' ' ARG . 59.2 m-20 62.88 84.57 0.14 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.534 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 40' ' ' LYS . . . . . 0.546 ' HD3' ' CZ ' ' X' ' 25' ' ' TYR . 28.9 tptp -84.7 132.46 34.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.769 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 41' ' ' PHE . . . . . 0.429 ' HE1' ' HG2' ' X' ' 26' ' ' ARG . 3.4 m-85 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.107 -0.949 . . . . 0.0 109.559 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.782 0.325 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 2' ' ' THR . . . . . 0.801 ' HB ' ' HB3' ' X' ' 15' ' ' LEU . 17.1 p -66.5 -40.03 89.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.545 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 13.2 m -99.37 130.78 45.67 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.164 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 4' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' X' ' 5' ' ' LEU . 29.5 t70 -164.42 -133.65 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.51 ' H ' ' CG ' ' X' ' 4' ' ' ASP . 2.4 tt -130.57 -33.7 1.62 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.03 31.8 2.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.849 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 7' ' ' SER . . . . . 0.479 ' HB3' ' C ' ' X' ' 11' ' ' VAL . 8.7 t -93.04 100.52 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.73 -105.41 1.38 Allowed Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -126.11 34.02 4.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.367 0.603 . . . . 0.0 109.381 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.11 -138.45 5.18 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.049 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 11' ' ' VAL . . . . . 0.479 ' C ' ' HB3' ' X' ' 7' ' ' SER . 55.7 t -71.22 -30.51 40.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.115 0.483 . . . . 0.0 111.123 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.38 41.64 8.33 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.391 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 13' ' ' SER . . . . . 0.716 ' HA ' ' SG ' ' X' ' 30' ' ' CYS . 43.4 m -58.89 -27.34 65.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.904 0.383 . . . . 0.0 110.683 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 15.7 m -60.97 -37.21 81.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.156 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.801 ' HB3' ' HB ' ' X' ' 2' ' ' THR . 3.1 mt -60.5 -42.08 95.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.994 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 16' ' ' CYS . . . . . 0.573 ' HB2' ' SG ' ' X' ' 30' ' ' CYS . 42.8 t -56.04 -38.65 70.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.818 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -60.39 -54.81 41.14 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.602 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 18' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -64.05 -37.86 88.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.394 0.616 . . . . 0.0 110.045 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -56.02 -45.39 79.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.72 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -86.47 -18.73 30.91 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.811 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 67.8 mt -59.19 -35.35 73.43 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -70.17 -41.47 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.76 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -67.62 -47.35 69.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.917 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.34 42.32 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.959 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.618 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 83.3 m-85 -139.2 130.09 26.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -85.95 39.54 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.75 147.89 5.66 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.12 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 28' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -160.41 131.19 2.58 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.584 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -131.53 130.27 42.11 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.29 0.566 . . . . 0.0 110.61 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 30' ' ' CYS . . . . . 0.716 ' SG ' ' HA ' ' X' ' 13' ' ' SER . 89.0 m -80.66 108.35 14.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.216 0.532 . . . . 0.0 110.161 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 tmtp? -121.22 130.46 53.7 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 59.07 36.75 24.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.163 0.506 . . . . 0.0 110.087 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.33 30.3 17.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.966 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -137.07 137.79 46.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 52.8 t -69.45 100.64 1.42 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.84 0.352 . . . . 0.0 110.394 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -101.73 109.25 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 37' ' ' CYS . . . . . 0.486 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 25.7 m -83.49 162.66 20.86 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 -176.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -148.73 154.83 40.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.418 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 68.63 84.92 0.15 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.774 0.672 . . . . 0.0 111.787 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -76.85 145.76 38.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.217 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.384 179.472 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 1' ' ' ALA . . . . . 0.409 ' HB1' ' HB2' ' X' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 2' ' ' THR . . . . . 0.51 ' HA ' ' CD2' ' X' ' 15' ' ' LEU . 57.3 m -78.53 -58.12 3.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.963 0.411 . . . . 0.0 111.997 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 85.2 m -136.2 53.2 1.94 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.255 0.55 . . . . 0.0 111.605 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 4' ' ' ASP . . . . . 0.409 ' HB2' ' HB1' ' X' ' 1' ' ' ALA . 33.0 t0 -94.73 -1.9 52.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.752 0.787 . . . . 0.0 109.91 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.592 ' HG ' HG23 ' X' ' 11' ' ' VAL . 0.6 OUTLIER -91.69 36.97 0.95 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.054 179.287 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.9 -127.21 1.13 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 32.1 t -169.91 55.37 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.288 0.566 . . . . 0.0 109.835 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.08 -50.07 54.08 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.468 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -168.46 118.74 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.808 0.337 . . . . 0.0 110.618 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.33 61.61 7.21 Favored Glycine 0 CA--C 1.504 -0.638 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.96 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 11' ' ' VAL . . . . . 0.796 HG22 ' H ' ' X' ' 12' ' ' GLY . 8.5 p -65.81 -168.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 12' ' ' GLY . . . . . 0.796 ' H ' HG22 ' X' ' 11' ' ' VAL . . . -74.71 47.94 1.88 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.554 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -73.24 -41.33 63.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 117.362 0.581 . . . . 0.0 109.994 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 23.6 t -64.38 -41.33 96.74 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' X' ' 2' ' ' THR . 16.2 tp -61.89 -43.32 99.09 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.807 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 36.2 t -56.59 -39.7 73.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.331 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.552 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -57.27 -49.52 75.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 18' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -64.42 -42.15 96.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.965 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 19' ' ' HIS . . . . . 0.413 ' CD2' ' HE3' ' X' ' 23' ' ' LYS . 4.3 t-160 -54.37 -43.2 71.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.554 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 82.6 m -75.51 -36.21 60.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.124 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 88.6 mt -60.29 -39.99 88.89 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 0.0 110.08 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 22' ' ' VAL . . . . . 0.41 HG23 ' O ' ' X' ' 18' ' ' ALA . 74.6 t -62.41 -40.48 88.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.319 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 23' ' ' LYS . . . . . 0.413 ' HE3' ' CD2' ' X' ' 19' ' ' HIS . 99.6 mttt -69.68 -50.94 39.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.769 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.33 51.59 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.133 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.593 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 85.3 m-85 -130.36 155.7 45.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.756 -0.261 . . . . 0.0 110.723 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -64.8 -33.75 76.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.501 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.28 -169.91 28.48 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.522 -0.846 . . . . 0.0 111.849 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.12 146.24 11.49 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.059 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -149.52 139.31 21.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 m -88.56 142.14 27.94 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.581 0.705 . . . . 0.0 111.852 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.464 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 22.9 tptm -159.98 134.03 7.35 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 32' ' ' ASN . . . . . 0.433 ' O ' HG13 ' X' ' 34' ' ' ILE . 52.0 t30 64.41 32.3 12.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.14 35.57 18.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.144 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 34' ' ' ILE . . . . . 0.433 HG13 ' O ' ' X' ' 32' ' ' ASN . 56.0 mt -140.18 134.23 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.353 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.8 110.76 5.12 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 36' ' ' HIS . . . . . 0.464 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.8 m-70 -104.37 119.62 39.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.985 0.422 . . . . 0.0 109.925 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 37' ' ' CYS . . . . . 0.533 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 71.7 m -80.44 135.99 36.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.433 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -89.27 130.03 35.74 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.474 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 49.43 -130.52 1.94 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.053 0.846 . . . . 0.0 112.198 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -173.3 154.5 2.68 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.242 179.3 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.986 0.422 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 2' ' ' THR . . . . . 0.583 HG22 HD21 ' X' ' 15' ' ' LEU . 18.0 p -76.96 135.24 38.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.994 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 3' ' ' CYS . . . . . 0.638 ' HA ' HG22 ' X' ' 11' ' ' VAL . 11.3 m 66.51 -135.62 0.15 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 31.0 t70 53.7 30.96 11.93 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.37 0.605 . . . . 0.0 111.668 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 23.2 tp 53.33 40.91 32.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.105 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.84 45.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.182 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 67.5 m -145.92 50.8 1.17 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.751 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.18 -136.94 18.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.381 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -104.9 126.88 52.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.063 0.459 . . . . 0.0 110.468 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 10' ' ' GLY . . . . . 0.464 ' O ' ' HB ' ' X' ' 11' ' ' VAL . . . 63.68 32.06 82.88 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.429 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 11' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' X' ' 3' ' ' CYS . 5.6 t 69.43 -33.73 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.286 0.635 . . . . 0.0 112.592 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 12' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' X' ' 10' ' ' GLY . . . 71.58 74.62 0.72 Allowed Glycine 0 N--CA 1.438 -1.215 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 13' ' ' SER . . . . . 0.541 ' HB3' ' HA ' ' X' ' 29' ' ' TYR . 15.6 m -54.76 -18.26 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 33.4 t -58.49 -39.55 80.31 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.583 HD21 HG22 ' X' ' 2' ' ' THR . 13.3 tp -64.64 -42.35 95.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.054 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 16' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' X' ' 19' ' ' HIS . 49.6 t -62.16 -38.14 87.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.814 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.5 73.57 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.1 86.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.397 0.618 . . . . 0.0 109.708 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 19' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' X' ' 16' ' ' CYS . 9.1 t-160 -58.75 -39.74 81.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.188 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.615 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 67.8 m -71.46 -36.45 71.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.655 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -57.32 -37.93 73.27 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.839 0.352 . . . . 0.0 110.216 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.63 -43.23 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.263 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -70.37 -43.88 69.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.635 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.34 47.51 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.706 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.66 ' CE2' ' HB3' ' X' ' 40' ' ' LYS . 39.7 m-85 -129.64 157.69 41.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.997 0.427 . . . . 0.0 111.192 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -76.83 -29.82 56.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.19 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.98 -178.89 33.41 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.194 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.6 160.6 34.27 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.977 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 29' ' ' TYR . . . . . 0.541 ' HA ' ' HB3' ' X' ' 13' ' ' SER . 40.3 p90 -150.47 133.4 16.02 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 30' ' ' CYS . . . . . 0.566 ' CB ' HG11 ' X' ' 11' ' ' VAL . 12.1 t -82.41 131.23 35.22 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.869 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -153.95 130.55 10.7 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.27 40.15 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp 72.27 -22.12 0.22 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 114.915 -1.039 . . . . 0.0 113.101 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.61 133.85 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 42.7 t -75.05 82.04 2.25 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -72.48 125.43 27.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.317 0.58 . . . . 0.0 110.912 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 37' ' ' CYS . . . . . 0.523 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 82.1 m -95.63 149.19 21.72 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.099 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 -131.22 139.52 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 57.86 92.31 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.828 0.705 . . . . 0.0 112.263 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 40' ' ' LYS . . . . . 0.777 ' H ' ' HD3' ' X' ' 40' ' ' LYS . 0.0 OUTLIER -95.26 -171.06 2.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.031 0.443 . . . . 0.0 110.299 178.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.6 p90 . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.953 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.768 0.318 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 1.9 m -71.14 -28.14 64.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.464 0.649 . . . . 0.0 109.986 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 3' ' ' CYS . . . . . 0.438 ' HA ' ' CG1' ' X' ' 11' ' ' VAL . 41.2 t -155.12 132.58 11.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.497 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 4' ' ' ASP . . . . . 0.762 ' HA ' ' HG2' ' X' ' 33' ' ' LYS . 54.9 t0 -162.3 130.95 4.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.003 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.89 -30.84 69.42 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.285 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.31 54.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.833 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 7' ' ' SER . . . . . 0.404 ' HB3' ' HA ' ' X' ' 11' ' ' VAL . 69.3 m -152.78 40.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.525 -178.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.22 -128.96 31.4 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.336 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -77.89 -16.35 58.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.201 0.525 . . . . 0.0 111.504 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.33 134.44 1.72 Allowed Glycine 0 C--N 1.313 -0.733 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.241 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 11' ' ' VAL . . . . . 0.438 ' CG1' ' HA ' ' X' ' 3' ' ' CYS . 14.5 p -67.52 -40.08 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.702 0.763 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 12' ' ' GLY . . . . . 0.411 ' N ' HG13 ' X' ' 11' ' ' VAL . . . -179.22 55.27 0.09 OUTLIER Glycine 0 N--CA 1.438 -1.186 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.515 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 14.6 m -63.22 -29.18 70.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 11.1 m -62.57 -45.52 92.56 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' X' ' 19' ' ' HIS . 19.3 tp -62.97 -47.08 84.71 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.084 177.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 16' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 42.4 t -48.68 -45.27 38.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.438 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.93 -59.72 2.6 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.464 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.04 -51.0 33.62 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.362 0.601 . . . . 0.0 112.495 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 19' ' ' HIS . . . . . 0.504 ' HB3' ' O ' ' X' ' 15' ' ' LEU . 19.2 t60 -60.36 -39.6 87.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.923 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.57 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.1 OUTLIER -75.84 -25.57 56.36 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.558 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 2.9 mp -58.5 -34.92 71.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 61.3 t -61.67 -45.17 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.529 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -65.41 -52.6 52.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.565 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.87 36.4 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.377 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.57 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 89.1 m-85 -116.54 153.93 31.32 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 26' ' ' ARG . . . . . 0.542 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.6 mmp_? -99.99 -0.79 38.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.664 0.269 . . . . 0.0 111.59 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.57 -174.9 40.17 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.427 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 28' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -175.78 144.61 7.23 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -144.3 149.1 35.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.209 0.505 . . . . 0.0 111.607 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 41.9 t -88.57 126.19 35.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.497 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -163.27 132.42 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 32' ' ' ASN . . . . . 0.452 ' O ' HG13 ' X' ' 34' ' ' ILE . 70.6 m-20 58.3 34.24 23.88 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.377 0.423 . . . . 0.0 111.255 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 33' ' ' LYS . . . . . 0.762 ' HG2' ' HA ' ' X' ' 4' ' ' ASP . 14.8 mtpt 57.7 37.43 27.29 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.206 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 34' ' ' ILE . . . . . 0.452 HG13 ' O ' ' X' ' 32' ' ' ASN . 46.9 mt -143.22 124.06 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.732 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 t -67.08 100.24 0.74 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -92.95 103.14 15.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.042 0.448 . . . . 0.0 110.123 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 37' ' ' CYS . . . . . 0.48 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 56.5 m -76.75 144.77 39.03 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.725 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -110.48 142.29 42.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 39' ' ' ASP . . . . . 0.56 ' O ' ' HA ' ' X' ' 25' ' ' TYR . 1.7 m-20 56.95 92.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.982 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 40' ' ' LYS . . . . . 0.537 ' HB2' ' CE2' ' X' ' 25' ' ' TYR . 28.5 tptp -95.95 125.98 40.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.572 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 11.4 p90 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.625 -0.703 . . . . 0.0 110.205 179.808 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 2' ' ' THR . . . . . 0.57 ' O ' HG12 ' X' ' 11' ' ' VAL . 0.2 OUTLIER -85.75 -25.45 26.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.518 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 3' ' ' CYS . . . . . 0.413 ' HA ' ' CB ' ' X' ' 7' ' ' SER . 12.3 t -158.7 41.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.072 -0.651 . . . . 0.0 112.115 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -82.31 46.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.035 -0.416 . . . . 0.0 111.765 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? 71.49 -40.48 0.48 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.023 0.929 . . . . 0.0 111.324 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.36 -6.2 13.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 110.714 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 7' ' ' SER . . . . . 0.46 ' CB ' ' HB ' ' X' ' 11' ' ' VAL . 1.5 p -70.12 -18.54 63.24 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.888 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.11 -126.3 7.82 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.361 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -129.37 44.62 2.94 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.153 0.501 . . . . 0.0 110.514 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.25 -51.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.634 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 11' ' ' VAL . . . . . 0.57 HG12 ' O ' ' X' ' 2' ' ' THR . 76.8 t -49.5 -41.36 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 12' ' ' GLY . . . . . 0.404 ' HA2' ' HB2' ' X' ' 3' ' ' CYS . . . -51.04 -41.16 45.2 Favored Glycine 0 C--N 1.321 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 113.822 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 6.4 p -105.41 -34.82 7.7 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 14' ' ' SER . . . . . 0.467 ' C ' ' H ' ' X' ' 16' ' ' CYS . 36.5 t -64.1 -51.63 63.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.535 HD12 HG13 ' X' ' 11' ' ' VAL . 10.7 mt -81.89 37.2 0.47 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.787 0.803 . . . . 0.0 109.265 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 16' ' ' CYS . . . . . 0.467 ' H ' ' C ' ' X' ' 14' ' ' SER . 2.3 t -143.02 -47.2 0.31 Allowed 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.425 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.633 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -62.93 -51.78 65.58 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.156 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 18' ' ' ALA . . . . . 0.661 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -80.2 -48.8 12.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.668 0.747 . . . . 0.0 111.249 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -53.97 -42.24 68.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.037 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 84.1 m -70.57 -29.5 65.96 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.18 -0.325 . . . . 0.0 111.001 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' X' ' 18' ' ' ALA . 84.6 mt -56.71 -42.88 79.91 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.356 0.598 . . . . 0.0 109.502 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 61.0 t -56.2 -45.02 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.787 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -68.98 -42.02 77.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.132 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.32 45.01 0.14 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.196 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.6 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 42.7 m-85 -131.41 149.94 52.34 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 26' ' ' ARG . . . . . 0.604 ' HB2' ' HB2' ' X' ' 39' ' ' ASP . 7.5 mmp_? -67.17 -30.94 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.854 0.359 . . . . 0.0 111.0 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.63 -157.42 10.34 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.362 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.59 153.42 21.74 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 29' ' ' TYR . . . . . 0.51 ' HE2' ' HB3' ' X' ' 38' ' ' ARG . 32.2 p90 -143.44 140.43 30.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.943 0.401 . . . . 0.0 111.636 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 18.9 t -78.98 128.23 33.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.333 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.96 130.47 12.97 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 32' ' ' ASN . . . . . 0.441 ' O ' HG13 ' X' ' 34' ' ' ILE . 6.2 m120 65.02 32.08 10.71 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -177.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 33' ' ' LYS . . . . . 0.687 ' HA ' ' HE3' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 61.08 39.74 15.84 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.76 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 34' ' ' ILE . . . . . 0.441 HG13 ' O ' ' X' ' 32' ' ' ASN . 24.3 mt -147.54 130.27 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.317 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 35' ' ' CYS . . . . . 0.485 ' HB3' ' CB ' ' X' ' 2' ' ' THR . 0.1 OUTLIER -69.04 121.73 17.27 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.211 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -114.15 113.65 24.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.919 0.39 . . . . 0.0 110.296 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 37' ' ' CYS . . . . . 0.556 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 90.2 m -67.39 139.88 57.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 38' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' X' ' 25' ' ' TYR . 43.1 ptt85 -124.67 146.96 48.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.325 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 39' ' ' ASP . . . . . 0.604 ' HB2' ' HB2' ' X' ' 26' ' ' ARG . 1.7 m-20 66.24 74.79 0.35 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.102 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 40' ' ' LYS . . . . . 0.571 ' HD3' ' CZ ' ' X' ' 25' ' ' TYR . 58.0 tptt -82.32 123.65 29.26 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.919 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 41' ' ' PHE . . . . . 0.494 ' HE1' ' HG2' ' X' ' 26' ' ' ARG . 5.6 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.172 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.786 0.327 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 2' ' ' THR . . . . . 0.512 ' HA ' HD23 ' X' ' 15' ' ' LEU . 96.3 m -155.16 -42.16 0.08 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.263 0.554 . . . . 0.0 110.343 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 34.0 m -128.43 44.76 2.89 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.045 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.0 -11.64 60.39 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.701 0.762 . . . . 0.0 110.958 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' X' ' 6' ' ' ALA . 7.3 tt -139.57 -72.35 0.38 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.936 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' X' ' 5' ' ' LEU . . . 170.52 35.71 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.978 0.799 . . . . 0.0 110.544 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 7' ' ' SER . . . . . 0.611 ' HB2' ' CA ' ' X' ' 12' ' ' GLY . 11.0 t 56.11 -151.93 0.39 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.86 -47.45 9.6 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -171.71 44.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.14 36.69 0.41 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.834 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 67.22 -50.92 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 12' ' ' GLY . . . . . 0.611 ' CA ' ' HB2' ' X' ' 7' ' ' SER . . . 132.0 25.37 0.75 Allowed Glycine 0 C--N 1.318 -0.437 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 3.1 p -69.86 -40.8 75.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.735 0.302 . . . . 0.0 111.376 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 15.0 t -64.88 -49.32 70.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.331 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' X' ' 2' ' ' THR . 25.5 tp -60.25 -43.95 95.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t -50.94 -44.31 60.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.74 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -63.21 -52.93 60.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 18' ' ' ALA . . . . . 0.594 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -57.25 -47.47 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.935 0.874 . . . . 0.0 111.098 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -60.38 -42.67 96.32 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.177 -1.374 . . . . 0.0 111.064 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.547 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 94.5 m -69.64 -31.9 70.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.677 0.275 . . . . 0.0 110.767 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' X' ' 18' ' ' ALA . 81.7 mt -60.11 -36.46 77.48 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.84 -44.97 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.596 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -69.81 -43.43 72.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.794 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 24' ' ' GLY . . . . . 0.602 ' O ' ' HD2' ' X' ' 40' ' ' LYS . . . 133.27 36.49 0.27 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.773 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.547 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 66.9 m-85 -112.32 157.11 21.37 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 26' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.0 mmp_? -63.96 -34.38 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.121 0.486 . . . . 0.0 110.341 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.41 -163.14 25.76 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.97 138.16 5.19 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.361 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 29' ' ' TYR . . . . . 0.468 ' HE2' ' HB3' ' X' ' 38' ' ' ARG . 44.5 p90 -124.69 131.45 53.46 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 21.1 t -87.76 125.45 34.44 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -136.4 130.31 32.54 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m120 59.65 41.92 17.91 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.714 0.634 . . . . 0.0 110.134 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 61.96 28.97 17.64 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.982 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -136.83 126.57 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.779 0.324 . . . . 0.0 110.307 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 27.1 t -70.95 127.18 31.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.945 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -122.24 112.6 18.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.781 0.324 . . . . 0.0 110.353 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 37' ' ' CYS . . . . . 0.523 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 84.5 m -72.06 133.43 45.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.218 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 38' ' ' ARG . . . . . 0.468 ' HB3' ' HE2' ' X' ' 29' ' ' TYR . 24.9 ptt-85 -113.75 128.86 56.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.952 0.406 . . . . 0.0 111.814 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 t0 59.73 120.1 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.457 -1.247 . . . . 0.0 113.374 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 40' ' ' LYS . . . . . 0.602 ' HD2' ' O ' ' X' ' 24' ' ' GLY . 29.0 tptp -97.83 129.29 44.81 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.754 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 24.9 p90 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.253 179.529 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 2' ' ' THR . . . . . 0.799 ' HA ' HD23 ' X' ' 15' ' ' LEU . 2.4 m -71.45 -51.82 21.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 3' ' ' CYS . . . . . 0.748 ' SG ' HG22 ' X' ' 11' ' ' VAL . 15.0 t -154.29 29.74 0.44 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.482 0.658 . . . . 0.0 110.431 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -85.04 50.15 1.88 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.688 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? 71.48 -47.85 0.67 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.604 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.82 71.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.107 0.48 . . . . 0.0 111.789 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 7' ' ' SER . . . . . 0.905 ' HB3' ' HA ' ' X' ' 11' ' ' VAL . 3.0 t -142.38 -37.35 0.39 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.24 -162.95 24.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.729 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -82.95 49.75 1.58 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.302 1.048 . . . . 0.0 110.125 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.43 39.38 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 107.478 -2.249 . . . . 0.0 107.478 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 11' ' ' VAL . . . . . 0.905 ' HA ' ' HB3' ' X' ' 7' ' ' SER . 3.1 p -47.21 134.06 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 CA-C-N 113.411 -1.394 . . . . 0.0 113.168 -177.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 12' ' ' GLY . . . . . 0.516 ' HA3' ' SG ' ' X' ' 3' ' ' CYS . . . 72.43 -51.75 1.44 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 113.453 -1.703 . . . . 0.0 113.846 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 13' ' ' SER . . . . . 0.696 ' HA ' ' HA ' ' X' ' 29' ' ' TYR . 22.6 t -52.62 -51.2 61.07 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 18.4 m -61.41 -55.76 27.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.799 HD23 ' HA ' ' X' ' 2' ' ' THR . 53.5 tp -61.23 -50.54 72.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.746 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 16' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 8.0 t -52.81 -40.15 63.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.411 ' HA ' ' N ' ' X' ' 28' ' ' GLY . . . -65.47 -51.12 62.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.928 0.394 . . . . 0.0 111.154 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -51.06 68.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.838 0.827 . . . . 0.0 111.711 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -61.1 -45.57 94.17 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.019 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -72.01 -21.56 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.683 -179.663 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.635 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 4.9 mt -61.36 -36.23 79.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.92 -43.92 89.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.057 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.01 -46.94 88.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.564 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.05 -3.0 0.46 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.375 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.635 ' O ' ' HA ' ' X' ' 21' ' ' LEU . 28.5 m-85 -87.83 157.88 18.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 26' ' ' ARG . . . . . 0.762 ' HG2' ' HB2' ' X' ' 39' ' ' ASP . 0.0 OUTLIER -71.36 -24.15 62.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.58 -140.65 5.82 Favored Glycine 0 N--CA 1.439 -1.111 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.306 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 28' ' ' GLY . . . . . 0.411 ' N ' ' HA ' ' X' ' 17' ' ' ALA . . . 177.06 -157.07 21.77 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.705 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 29' ' ' TYR . . . . . 0.696 ' HA ' ' HA ' ' X' ' 13' ' ' SER . 47.6 p90 -170.77 -170.9 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 30' ' ' CYS . . . . . 0.472 ' HB2' ' HA3' ' X' ' 12' ' ' GLY . 41.8 t -129.76 138.17 50.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.995 0.426 . . . . 0.0 109.98 178.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -141.44 122.86 14.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 62.81 37.17 12.55 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.532 0.52 . . . . 0.0 109.649 -177.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 33' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 60.61 37.21 19.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.298 -179.501 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 36.6 mt -141.71 123.52 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.39 131.74 47.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.242 0.544 . . . . 0.0 111.227 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -136.54 123.11 20.93 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 37' ' ' CYS . . . . . . . . . . . . . 38.0 m -82.02 165.02 21.02 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.915 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -151.52 148.67 28.31 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.275 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 39' ' ' ASP . . . . . 0.762 ' HB2' ' HG2' ' X' ' 26' ' ' ARG . 57.5 m-20 59.84 86.58 0.09 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.216 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 40' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 27.5 tptp -89.03 131.46 35.19 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.54 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.916 179.301 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 2' ' ' THR . . . . . 0.47 HG21 ' HA ' ' X' ' 16' ' ' CYS . 5.0 m -61.13 -52.33 65.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.002 0.429 . . . . 0.0 111.848 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 3' ' ' CYS . . . . . 0.64 ' HB3' ' CG1' ' X' ' 11' ' ' VAL . 1.8 p -162.55 151.31 14.87 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.55 0.69 . . . . 0.0 111.454 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 4' ' ' ASP . . . . . 0.436 ' C ' ' HB3' ' X' ' 33' ' ' LYS . 6.6 t70 -170.85 -149.11 0.06 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.167 -1.379 . . . . 0.0 107.312 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.659 HD13 ' HG3' ' X' ' 33' ' ' LYS . 3.9 mm? -77.2 -21.93 53.14 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.895 0.378 . . . . 0.0 110.604 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -23.76 67.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.811 0.815 . . . . 0.0 109.892 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 7' ' ' SER . . . . . 0.45 ' HB3' ' HB ' ' X' ' 11' ' ' VAL . 4.8 m -76.65 142.29 40.67 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.156 -1.384 . . . . 0.0 110.001 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.21 82.67 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.428 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -139.79 -132.84 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.95 -6.31 72.88 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.384 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 11' ' ' VAL . . . . . 0.64 ' CG1' ' HB3' ' X' ' 3' ' ' CYS . 8.9 p 39.41 -133.34 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 124.39 1.076 . . . . 0.0 112.165 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 12' ' ' GLY . . . . . 0.616 ' H ' HG22 ' X' ' 11' ' ' VAL . . . -76.05 67.86 2.36 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.72 -0.276 . . . . 0.0 112.832 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 19.9 m -62.01 -36.87 82.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 70.4 m -67.45 -33.05 74.34 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.871 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 22.1 tp -63.96 -43.14 96.68 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 16' ' ' CYS . . . . . 0.47 ' HA ' HG21 ' X' ' 2' ' ' THR . 49.6 t -49.84 -44.31 49.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.425 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.676 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -66.62 -55.86 13.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 178.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 18' ' ' ALA . . . . . 0.647 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -52.59 -52.38 55.48 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.828 0.823 . . . . 0.0 112.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -56.96 -43.87 82.01 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.269 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 20' ' ' CYS . . . . . 0.581 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.4 OUTLIER -75.32 -22.27 57.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 96.6 mt -59.71 -39.89 86.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.47 -44.36 98.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.453 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -62.93 -52.38 63.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.926 -1.033 . . . . 0.0 111.188 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.77 43.81 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.979 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.632 ' CE2' ' HB3' ' X' ' 40' ' ' LYS . 31.4 m-85 -125.67 157.12 38.09 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.8 mmp_? -86.54 -17.79 33.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.036 0.445 . . . . 0.0 111.288 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.89 -159.92 14.44 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.14 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 28' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . 165.43 149.75 5.98 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.545 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 29' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' X' ' 31' ' ' LYS . 46.8 p90 -161.0 141.05 10.96 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.771 0.319 . . . . 0.0 110.376 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 64.1 m -75.69 117.58 17.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' X' ' 29' ' ' TYR . 11.2 tmtt? -130.71 137.94 49.76 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 32' ' ' ASN . . . . . 0.458 ' N ' ' HD3' ' X' ' 31' ' ' LYS . 23.9 p30 50.93 39.22 22.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.649 0.738 . . . . 0.0 109.371 -176.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 33' ' ' LYS . . . . . 0.659 ' HG3' HD13 ' X' ' 5' ' ' LEU . 0.0 OUTLIER 76.23 -27.98 0.18 Allowed 'General case' 0 C--N 1.347 0.467 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.995 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.15 135.5 24.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 35' ' ' CYS . . . . . 0.64 ' HB2' ' SG ' ' X' ' 3' ' ' CYS . 6.6 t -69.31 100.4 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 36' ' ' HIS . . . . . 0.454 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.7 m-70 -97.0 106.04 18.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.2 0.524 . . . . 0.0 109.723 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 37' ' ' CYS . . . . . 0.482 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 66.9 m -75.05 144.27 43.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.83 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -99.97 120.83 40.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 39' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' X' ' 25' ' ' TYR . 39.0 t70 59.04 126.31 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 O-C-N 124.511 1.132 . . . . 0.0 113.283 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 40' ' ' LYS . . . . . 0.632 ' HB3' ' CE2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -119.15 37.4 4.15 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.824 178.839 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.251 1.132 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.08 179.668 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 47.4 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.714 0.292 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.705 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -65.56 -59.12 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.543 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . 0.542 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -56.23 -48.23 76.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.208 0.528 . . . . 0.0 111.879 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -58.44 -40.48 82.69 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.125 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.5 OUTLIER -77.91 -21.65 50.87 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 96.7 mt -62.01 -34.3 75.94 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.28 -45.31 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.924 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -67.3 -50.03 61.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.12 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.63 31.97 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.741 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.555 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 81.8 m-85 -108.73 156.46 19.58 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' X' ' 39' ' ' ASP . 4.6 mmp_? -107.91 22.17 16.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.133 0.492 . . . . 0.0 110.163 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.08 158.16 17.51 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.158 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . 0.54 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -161.77 133.51 3.17 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -146.4 138.96 25.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 52.6 t -90.1 121.75 32.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.105 0.478 . . . . 0.0 110.566 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.453 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 52.1 tptt -134.13 134.08 41.78 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 62.44 34.86 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.613 0.57 . . . . 0.0 109.699 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt 62.97 29.72 16.44 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.385 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 55.0 mt -138.08 132.41 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 110.553 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 9.6 t -70.35 109.94 5.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.433 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 36' ' ' HIS . . . . . 0.453 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 90.9 m-70 -111.77 113.6 26.06 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 37' ' ' CYS . . . . . 0.54 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 40.3 m -89.14 158.68 17.84 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.375 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -137.63 149.85 46.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 39' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' X' ' 26' ' ' ARG . 0.8 OUTLIER 66.19 83.82 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.409 179.445 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 40' ' ' LYS . . . . . 0.484 ' HB2' ' CE2' ' X' ' 25' ' ' TYR . 28.0 tptp -100.76 113.36 26.2 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.099 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 6.9 p90 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.512 -0.756 . . . . 0.0 110.671 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.34 -50.34 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.677 0.275 . . . . 0.0 110.908 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.87 -53.15 60.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.886 0.851 . . . . 0.0 111.551 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.46 -33.43 72.55 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.215 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 77.4 m -76.22 -36.8 58.4 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 49.3 mt -59.87 -47.27 86.42 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 5.2 p -63.13 -37.79 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.056 0.455 . . . . 0.0 110.713 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -63.74 -50.66 68.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.27 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 24' ' ' GLY . . . . . 0.525 ' O ' ' HD2' ' X' ' 40' ' ' LYS . . . 143.85 36.85 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.266 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.559 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 31.3 m-85 -126.65 156.53 40.86 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . 0.726 ' HB2' ' HB2' ' X' ' 39' ' ' ASP . 3.5 mmp_? -71.0 -29.42 65.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.231 0.332 . . . . 0.0 111.381 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.79 -163.15 24.34 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.498 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.97 148.73 13.65 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.831 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -144.54 141.78 29.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -82.79 137.15 34.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.13 0.49 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' X' ' 31' ' ' LYS . 43.9 tptt -151.16 129.33 11.9 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 m120 62.86 37.63 12.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 61.46 31.47 19.03 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.448 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 56.0 mt -139.75 127.04 24.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.75 114.57 11.04 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -107.32 121.32 44.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.75 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 37' ' ' CYS . . . . . 0.537 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 87.3 m -75.23 138.83 42.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.102 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -118.7 142.02 48.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.708 0.29 . . . . 0.0 111.278 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 39' ' ' ASP . . . . . 0.726 ' HB2' ' HB2' ' X' ' 26' ' ' ARG . 59.2 m-20 62.88 84.57 0.14 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.534 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 40' ' ' LYS . . . . . 0.546 ' HD3' ' CZ ' ' X' ' 25' ' ' TYR . 28.9 tptp -84.7 132.46 34.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.769 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 41' ' ' PHE . . . . . 0.429 ' HE1' ' HG2' ' X' ' 26' ' ' ARG . 3.4 m-85 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.107 -0.949 . . . . 0.0 109.559 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . 0.573 ' HB2' ' SG ' ' X' ' 30' ' ' CYS . 42.8 t . . . . . 0 C--O 1.233 0.188 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -60.39 -54.81 41.14 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.602 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -64.05 -37.86 88.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.394 0.616 . . . . 0.0 110.045 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -56.02 -45.39 79.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.72 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -86.47 -18.73 30.91 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 67.8 mt -59.19 -35.35 73.43 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -70.17 -41.47 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.76 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -67.62 -47.35 69.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.917 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.34 42.32 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.959 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.618 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 83.3 m-85 -139.2 130.09 26.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -85.95 39.54 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.75 147.89 5.66 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.12 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -160.41 131.19 2.58 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.584 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -131.53 130.27 42.11 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.29 0.566 . . . . 0.0 110.61 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' X' ' 16' ' ' CYS . 89.0 m -80.66 108.35 14.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.216 0.532 . . . . 0.0 110.161 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 tmtp? -121.22 130.46 53.7 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 59.07 36.75 24.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.163 0.506 . . . . 0.0 110.087 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.33 30.3 17.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.966 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -137.07 137.79 46.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 52.8 t -69.45 100.64 1.42 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.84 0.352 . . . . 0.0 110.394 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -101.73 109.25 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 37' ' ' CYS . . . . . 0.486 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 25.7 m -83.49 162.66 20.86 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 -176.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -148.73 154.83 40.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.418 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 68.63 84.92 0.15 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.774 0.672 . . . . 0.0 111.787 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -76.85 145.76 38.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.217 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.384 179.472 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.552 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -57.27 -49.52 75.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -64.42 -42.15 96.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.965 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . 0.413 ' CD2' ' HE3' ' X' ' 23' ' ' LYS . 4.3 t-160 -54.37 -43.2 71.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.554 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 82.6 m -75.51 -36.21 60.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.124 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 88.6 mt -60.29 -39.99 88.89 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 0.0 110.08 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 22' ' ' VAL . . . . . 0.41 HG23 ' O ' ' X' ' 18' ' ' ALA . 74.6 t -62.41 -40.48 88.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.319 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . 0.413 ' HE3' ' CD2' ' X' ' 19' ' ' HIS . 99.6 mttt -69.68 -50.94 39.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.769 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.33 51.59 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.133 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.593 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 85.3 m-85 -130.36 155.7 45.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.756 -0.261 . . . . 0.0 110.723 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -64.8 -33.75 76.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.501 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.28 -169.91 28.48 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.522 -0.846 . . . . 0.0 111.849 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.12 146.24 11.49 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.059 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -149.52 139.31 21.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 m -88.56 142.14 27.94 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.581 0.705 . . . . 0.0 111.852 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.464 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 22.9 tptm -159.98 134.03 7.35 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 32' ' ' ASN . . . . . 0.433 ' O ' HG13 ' X' ' 34' ' ' ILE . 1.1 t-20 64.41 32.3 12.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.14 35.57 18.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.144 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 34' ' ' ILE . . . . . 0.433 HG13 ' O ' ' X' ' 32' ' ' ASN . 56.0 mt -140.18 134.23 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.353 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.8 110.76 5.12 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 36' ' ' HIS . . . . . 0.464 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.8 m-70 -104.37 119.62 39.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.985 0.422 . . . . 0.0 109.925 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 37' ' ' CYS . . . . . 0.533 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 71.7 m -80.44 135.99 36.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.433 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -89.27 130.03 35.74 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.474 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 49.43 -130.52 1.94 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.053 0.846 . . . . 0.0 112.198 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -173.3 154.5 2.68 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.242 179.3 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' X' ' 19' ' ' HIS . 49.6 t . . . . . 0 N--CA 1.456 -0.128 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.5 73.57 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.1 86.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.397 0.618 . . . . 0.0 109.708 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' X' ' 16' ' ' CYS . 9.1 t-160 -58.75 -39.74 81.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.188 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.615 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 67.8 m -71.46 -36.45 71.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.655 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -57.32 -37.93 73.27 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.839 0.352 . . . . 0.0 110.216 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.63 -43.23 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.263 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -70.37 -43.88 69.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.635 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.34 47.51 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.706 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.66 ' CE2' ' HB3' ' X' ' 40' ' ' LYS . 39.7 m-85 -129.64 157.69 41.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.997 0.427 . . . . 0.0 111.192 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -76.83 -29.82 56.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.19 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.98 -178.89 33.41 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.194 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.6 160.6 34.27 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.977 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -150.47 133.4 16.02 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 t -82.41 131.23 35.22 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.869 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.469 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 43.4 tptt -153.95 130.55 10.7 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.27 40.15 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp 72.27 -22.12 0.22 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 114.915 -1.039 . . . . 0.0 113.101 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.61 133.85 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 42.7 t -75.05 82.04 2.25 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 36' ' ' HIS . . . . . 0.469 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 87.7 m-70 -72.48 125.43 27.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.317 0.58 . . . . 0.0 110.912 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 37' ' ' CYS . . . . . 0.523 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 82.1 m -95.63 149.19 21.72 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.099 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 -131.22 139.52 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 57.86 92.31 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.828 0.705 . . . . 0.0 112.263 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 40' ' ' LYS . . . . . 0.777 ' H ' ' HD3' ' X' ' 40' ' ' LYS . 0.0 OUTLIER -95.26 -171.06 2.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.031 0.443 . . . . 0.0 110.299 178.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.6 p90 . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.953 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 42.4 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.894 0.378 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.93 -59.72 2.6 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.464 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.04 -51.0 33.62 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.362 0.601 . . . . 0.0 112.495 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -60.36 -39.6 87.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.923 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.57 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.1 OUTLIER -75.84 -25.57 56.36 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.558 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 2.9 mp -58.5 -34.92 71.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 61.3 t -61.67 -45.17 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.529 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -65.41 -52.6 52.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.565 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.87 36.4 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.377 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.57 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 89.1 m-85 -116.54 153.93 31.32 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . 0.542 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.6 mmp_? -99.99 -0.79 38.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.664 0.269 . . . . 0.0 111.59 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.57 -174.9 40.17 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.427 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -175.78 144.61 7.23 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -144.3 149.1 35.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.209 0.505 . . . . 0.0 111.607 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 41.9 t -88.57 126.19 35.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.497 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.485 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 16.1 tppt? -163.27 132.42 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 32' ' ' ASN . . . . . 0.452 ' O ' HG13 ' X' ' 34' ' ' ILE . 4.4 m120 58.3 34.24 23.88 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.377 0.423 . . . . 0.0 111.255 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt 57.7 37.43 27.29 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.206 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 34' ' ' ILE . . . . . 0.452 HG13 ' O ' ' X' ' 32' ' ' ASN . 46.9 mt -143.22 124.06 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.732 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 t -67.08 100.24 0.74 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 36' ' ' HIS . . . . . 0.485 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.5 m-70 -92.95 103.14 15.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.042 0.448 . . . . 0.0 110.123 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 37' ' ' CYS . . . . . 0.48 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 56.5 m -76.75 144.77 39.03 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.725 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -110.48 142.29 42.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 39' ' ' ASP . . . . . 0.56 ' O ' ' HA ' ' X' ' 25' ' ' TYR . 1.7 m-20 56.95 92.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.982 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 40' ' ' LYS . . . . . 0.537 ' HB2' ' CE2' ' X' ' 25' ' ' TYR . 28.5 tptp -95.95 125.98 40.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.572 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 11.4 p90 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.625 -0.703 . . . . 0.0 110.205 179.808 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.438 -1.057 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.633 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -62.93 -51.78 65.58 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.156 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . 0.661 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -80.2 -48.8 12.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.668 0.747 . . . . 0.0 111.249 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -53.97 -42.24 68.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.037 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 84.1 m -70.57 -29.5 65.96 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.18 -0.325 . . . . 0.0 111.001 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' X' ' 18' ' ' ALA . 84.6 mt -56.71 -42.88 79.91 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.356 0.598 . . . . 0.0 109.502 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 61.0 t -56.2 -45.02 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.787 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -68.98 -42.02 77.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.132 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.32 45.01 0.14 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.196 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.6 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 42.7 m-85 -131.41 149.94 52.34 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . 0.604 ' HB2' ' HB2' ' X' ' 39' ' ' ASP . 7.5 mmp_? -67.17 -30.94 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.854 0.359 . . . . 0.0 111.0 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.63 -157.42 10.34 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.362 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.59 153.42 21.74 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . 0.51 ' HE2' ' HB3' ' X' ' 38' ' ' ARG . 32.2 p90 -143.44 140.43 30.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.943 0.401 . . . . 0.0 111.636 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 18.9 t -78.98 128.23 33.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.333 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.4 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 0.3 OUTLIER -150.96 130.47 12.97 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.178 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 32' ' ' ASN . . . . . 0.441 ' O ' HG13 ' X' ' 34' ' ' ILE . 6.2 m120 65.02 32.08 10.71 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -177.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . 0.687 ' HA ' ' HE3' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 61.08 39.74 15.84 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.76 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 34' ' ' ILE . . . . . 0.441 HG13 ' O ' ' X' ' 32' ' ' ASN . 24.3 mt -147.54 130.27 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.317 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.04 121.73 17.27 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 36' ' ' HIS . . . . . 0.4 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 85.1 m-70 -114.15 113.65 24.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.919 0.39 . . . . 0.0 110.296 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 37' ' ' CYS . . . . . 0.556 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 90.2 m -67.39 139.88 57.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 38' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' X' ' 25' ' ' TYR . 43.1 ptt85 -124.67 146.96 48.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.325 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 39' ' ' ASP . . . . . 0.604 ' HB2' ' HB2' ' X' ' 26' ' ' ARG . 1.7 m-20 66.24 74.79 0.35 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.102 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 40' ' ' LYS . . . . . 0.571 ' HD3' ' CZ ' ' X' ' 25' ' ' TYR . 58.0 tptt -82.32 123.65 29.26 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.919 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 41' ' ' PHE . . . . . 0.494 ' HE1' ' HG2' ' X' ' 26' ' ' ARG . 5.6 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.172 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.469 0.176 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -63.21 -52.93 60.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . 0.594 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -57.25 -47.47 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.935 0.874 . . . . 0.0 111.098 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -60.38 -42.67 96.32 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.177 -1.374 . . . . 0.0 111.064 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.547 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 94.5 m -69.64 -31.9 70.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.677 0.275 . . . . 0.0 110.767 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' X' ' 18' ' ' ALA . 81.7 mt -60.11 -36.46 77.48 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.84 -44.97 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.596 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -69.81 -43.43 72.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.794 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 24' ' ' GLY . . . . . 0.602 ' O ' ' HD2' ' X' ' 40' ' ' LYS . . . 133.27 36.49 0.27 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.773 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.547 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 66.9 m-85 -112.32 157.11 21.37 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.0 mmp_? -63.96 -34.38 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.121 0.486 . . . . 0.0 110.341 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.41 -163.14 25.76 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.97 138.16 5.19 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.361 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . 0.468 ' HE2' ' HB3' ' X' ' 38' ' ' ARG . 44.5 p90 -124.69 131.45 53.46 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 21.1 t -87.76 125.45 34.44 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -136.4 130.31 32.54 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m120 59.65 41.92 17.91 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.714 0.634 . . . . 0.0 110.134 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 61.96 28.97 17.64 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.982 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -136.83 126.57 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.779 0.324 . . . . 0.0 110.307 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 27.1 t -70.95 127.18 31.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.945 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -122.24 112.6 18.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.781 0.324 . . . . 0.0 110.353 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 37' ' ' CYS . . . . . 0.523 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 84.5 m -72.06 133.43 45.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.218 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 38' ' ' ARG . . . . . 0.468 ' HB3' ' HE2' ' X' ' 29' ' ' TYR . 24.9 ptt-85 -113.75 128.86 56.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.952 0.406 . . . . 0.0 111.814 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 t0 59.73 120.1 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.457 -1.247 . . . . 0.0 113.374 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 40' ' ' LYS . . . . . 0.602 ' HD2' ' O ' ' X' ' 24' ' ' GLY . 29.0 tptp -97.83 129.29 44.81 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.754 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 24.9 p90 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.253 179.529 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 8.0 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.426 0.155 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.411 ' HA ' ' N ' ' X' ' 28' ' ' GLY . . . -65.47 -51.12 62.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.928 0.394 . . . . 0.0 111.154 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -51.06 68.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.838 0.827 . . . . 0.0 111.711 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -61.1 -45.57 94.17 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.019 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -72.01 -21.56 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.683 -179.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.635 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 4.9 mt -61.36 -36.23 79.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.92 -43.92 89.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.057 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.01 -46.94 88.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.564 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.05 -3.0 0.46 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.375 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.635 ' O ' ' HA ' ' X' ' 21' ' ' LEU . 28.5 m-85 -87.83 157.88 18.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . 0.762 ' HG2' ' HB2' ' X' ' 39' ' ' ASP . 0.0 OUTLIER -71.36 -24.15 62.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.58 -140.65 5.82 Favored Glycine 0 N--CA 1.439 -1.111 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.306 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . 0.411 ' N ' ' HA ' ' X' ' 17' ' ' ALA . . . 177.06 -157.07 21.77 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.705 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -170.77 -170.9 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -129.76 138.17 50.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.995 0.426 . . . . 0.0 109.98 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -141.44 122.86 14.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.81 37.17 12.55 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.532 0.52 . . . . 0.0 109.649 -177.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 60.61 37.21 19.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.298 -179.501 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 36.6 mt -141.71 123.52 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.39 131.74 47.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.242 0.544 . . . . 0.0 111.227 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -136.54 123.11 20.93 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 37' ' ' CYS . . . . . . . . . . . . . 38.0 m -82.02 165.02 21.02 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.915 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -151.52 148.67 28.31 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.275 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 39' ' ' ASP . . . . . 0.762 ' HB2' ' HG2' ' X' ' 26' ' ' ARG . 57.5 m-20 59.84 86.58 0.09 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.216 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 40' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 27.5 tptp -89.03 131.46 35.19 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.54 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.916 179.301 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 t . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 120.805 0.336 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.676 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -66.62 -55.86 13.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 178.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . 0.647 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -52.59 -52.38 55.48 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.828 0.823 . . . . 0.0 112.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -56.96 -43.87 82.01 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.269 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 20' ' ' CYS . . . . . 0.581 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.4 OUTLIER -75.32 -22.27 57.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 96.6 mt -59.71 -39.89 86.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.47 -44.36 98.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.453 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -62.93 -52.38 63.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.926 -1.033 . . . . 0.0 111.188 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.77 43.81 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.979 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.632 ' CE2' ' HB3' ' X' ' 40' ' ' LYS . 31.4 m-85 -125.67 157.12 38.09 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.8 mmp_? -86.54 -17.79 33.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.036 0.445 . . . . 0.0 111.288 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.89 -159.92 14.44 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.14 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 28' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . 165.43 149.75 5.98 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.545 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 29' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' X' ' 31' ' ' LYS . 46.8 p90 -161.0 141.05 10.96 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.771 0.319 . . . . 0.0 110.376 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 64.1 m -75.69 117.58 17.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' X' ' 29' ' ' TYR . 11.2 tmtt? -130.71 137.94 49.76 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 32' ' ' ASN . . . . . 0.458 ' N ' ' HD3' ' X' ' 31' ' ' LYS . 23.9 p30 50.93 39.22 22.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.649 0.738 . . . . 0.0 109.371 -176.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 33' ' ' LYS . . . . . 0.589 ' HE3' ' HA ' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 76.23 -27.98 0.18 Allowed 'General case' 0 C--N 1.347 0.467 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.995 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.15 135.5 24.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.31 100.4 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 36' ' ' HIS . . . . . 0.454 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.7 m-70 -97.0 106.04 18.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.2 0.524 . . . . 0.0 109.723 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 37' ' ' CYS . . . . . 0.482 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 66.9 m -75.05 144.27 43.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.83 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -99.97 120.83 40.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 39' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' X' ' 25' ' ' TYR . 39.0 t70 59.04 126.31 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 O-C-N 124.511 1.132 . . . . 0.0 113.283 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 40' ' ' LYS . . . . . 0.632 ' HB3' ' CE2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -119.15 37.4 4.15 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.824 178.839 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.251 1.132 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.08 179.668 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.881 0.372 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 22.6 m -71.11 -42.73 68.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.836 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' X' ' 11' ' ' VAL . 45.1 m -99.46 141.37 32.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.844 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . 0.46 ' CG ' ' H ' ' X' ' 5' ' ' LEU . 17.4 t70 -153.01 -137.52 0.07 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.509 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.46 ' H ' ' CG ' ' X' ' 4' ' ' ASP . 3.0 tm? -126.62 -45.45 1.63 Allowed 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.3 33.46 0.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.373 0.606 . . . . 0.0 110.397 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 15.2 m -81.88 54.94 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.078 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.54 45.6 89.01 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 59.33 49.88 8.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.516 0.674 . . . . 0.0 109.835 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.88 -128.54 1.0 Allowed Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.715 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . 0.625 HG13 ' HB3' ' X' ' 30' ' ' CYS . 10.7 p -139.65 -35.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.018 0.437 . . . . 0.0 111.188 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.97 33.25 0.11 Allowed Glycine 0 C--N 1.315 -0.626 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.512 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 27.5 p -78.21 -46.65 19.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.354 0.577 . . . . 0.0 111.192 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 23.7 m -58.1 -48.38 80.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.804 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.604 ' O ' ' HB3' ' X' ' 19' ' ' HIS . 37.1 tp -62.25 -49.71 74.62 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 47.4 t -50.8 -44.46 58.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.99 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.705 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -65.56 -59.12 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.543 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . 0.542 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -56.23 -48.23 76.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.208 0.528 . . . . 0.0 111.879 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . 0.604 ' HB3' ' O ' ' X' ' 15' ' ' LEU . 2.9 t60 -58.44 -40.48 82.69 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.125 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.5 OUTLIER -77.91 -21.65 50.87 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 96.7 mt -62.01 -34.3 75.94 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.28 -45.31 99.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.924 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -67.3 -50.03 61.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.12 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.63 31.97 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.741 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.555 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 81.8 m-85 -108.73 156.46 19.58 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' X' ' 39' ' ' ASP . 4.6 mmp_? -107.91 22.17 16.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.133 0.492 . . . . 0.0 110.163 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.08 158.16 17.51 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.158 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . 0.54 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -161.77 133.51 3.17 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -146.4 138.96 25.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.102 0.477 . . . . 0.0 110.585 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . 0.625 ' HB3' HG13 ' X' ' 11' ' ' VAL . 52.6 t -90.1 121.75 32.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.105 0.478 . . . . 0.0 110.566 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.453 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 52.1 tptt -134.13 134.08 41.78 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 62.44 34.86 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.613 0.57 . . . . 0.0 109.699 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt 62.97 29.72 16.44 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.385 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 55.0 mt -138.08 132.41 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.894 0.378 . . . . 0.0 110.553 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 9.6 t -70.35 109.94 5.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.433 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 36' ' ' HIS . . . . . 0.453 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 90.9 m-70 -111.77 113.6 26.06 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 37' ' ' CYS . . . . . 0.54 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 40.3 m -89.14 158.68 17.84 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.375 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -137.63 149.85 46.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 39' ' ' ASP . . . . . 0.477 ' CB ' ' HB2' ' X' ' 26' ' ' ARG . 0.8 OUTLIER 66.19 83.82 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.409 179.445 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 40' ' ' LYS . . . . . 0.484 ' HB2' ' CE2' ' X' ' 25' ' ' TYR . 28.0 tptp -100.76 113.36 26.2 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.099 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 6.9 p90 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.512 -0.756 . . . . 0.0 110.671 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.739 0.304 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . 0.521 ' HA ' HD23 ' X' ' 15' ' ' LEU . 7.2 p -61.89 -33.08 73.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . 0.605 ' SG ' HG21 ' X' ' 11' ' ' VAL . 12.2 t -155.19 51.27 0.59 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.148 0.499 . . . . 0.0 110.313 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.65 -12.13 18.66 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.336 0.588 . . . . 0.0 110.884 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.28 55.9 3.33 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.914 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.89 -127.41 2.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.575 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . 0.617 ' HA ' ' HB ' ' X' ' 11' ' ' VAL . 27.9 t -175.7 51.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.444 0.465 . . . . 0.0 110.262 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.74 -46.57 0.14 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.466 -0.874 . . . . 0.0 112.524 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -96.96 50.31 1.09 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.274 0.559 . . . . 0.0 109.945 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 68.71 10.87 61.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.457 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . 0.703 HG13 ' H ' ' X' ' 12' ' ' GLY . 7.3 p 36.95 -109.75 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 124.061 0.944 . . . . 0.0 112.137 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . 0.703 ' H ' HG13 ' X' ' 11' ' ' VAL . . . -127.79 37.26 2.35 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . 0.428 ' HA ' ' HB3' ' X' ' 16' ' ' CYS . 11.3 p -64.01 -27.88 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.772 -0.214 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -62.14 -51.89 66.04 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' X' ' 2' ' ' THR . 19.1 tp -64.53 -45.08 88.72 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' X' ' 13' ' ' SER . 48.4 t -51.44 -46.7 63.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.389 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.34 -50.34 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.677 0.275 . . . . 0.0 110.908 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.87 -53.15 60.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.886 0.851 . . . . 0.0 111.551 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.46 -33.43 72.55 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 113.97 -1.468 . . . . 0.0 111.215 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 77.4 m -76.22 -36.8 58.4 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 49.3 mt -59.87 -47.27 86.42 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 5.2 p -63.13 -37.79 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.056 0.455 . . . . 0.0 110.713 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -63.74 -50.66 68.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.27 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' GLY . . . . . 0.525 ' O ' ' HD2' ' X' ' 40' ' ' LYS . . . 143.85 36.85 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.266 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.559 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 31.3 m-85 -126.65 156.53 40.86 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . 0.726 ' HB2' ' HB2' ' X' ' 39' ' ' ASP . 3.5 mmp_? -71.0 -29.42 65.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.231 0.332 . . . . 0.0 111.381 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.79 -163.15 24.34 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.251 -0.976 . . . . 0.0 112.498 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.97 148.73 13.65 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.831 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -144.54 141.78 29.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 46.7 t -82.79 137.15 34.44 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.13 0.49 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' X' ' 31' ' ' LYS . 43.9 tptt -151.16 129.33 11.9 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 m120 62.86 37.63 12.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 61.46 31.47 19.03 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.448 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 56.0 mt -139.75 127.04 24.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 35' ' ' CYS . . . . . 0.413 ' CB ' ' HB ' ' X' ' 2' ' ' THR . 1.8 t -72.75 114.57 11.04 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -107.32 121.32 44.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.75 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 37' ' ' CYS . . . . . 0.537 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 87.3 m -75.23 138.83 42.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.102 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -118.7 142.02 48.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.708 0.29 . . . . 0.0 111.278 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 39' ' ' ASP . . . . . 0.726 ' HB2' ' HB2' ' X' ' 26' ' ' ARG . 59.2 m-20 62.88 84.57 0.14 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.534 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 40' ' ' LYS . . . . . 0.546 ' HD3' ' CZ ' ' X' ' 25' ' ' TYR . 28.9 tptp -84.7 132.46 34.46 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.769 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 41' ' ' PHE . . . . . 0.429 ' HE1' ' HG2' ' X' ' 26' ' ' ARG . 3.4 m-85 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.107 -0.949 . . . . 0.0 109.559 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.782 0.325 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . 0.801 ' HB ' ' HB3' ' X' ' 15' ' ' LEU . 17.1 p -66.5 -40.03 89.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.545 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 13.2 m -99.37 130.78 45.67 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.164 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' X' ' 5' ' ' LEU . 29.5 t70 -164.42 -133.65 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 -179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.51 ' H ' ' CG ' ' X' ' 4' ' ' ASP . 2.4 tt -130.57 -33.7 1.62 Allowed 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.03 31.8 2.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.849 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . 0.479 ' HB3' ' C ' ' X' ' 11' ' ' VAL . 8.7 t -93.04 100.52 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.73 -105.41 1.38 Allowed Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -126.11 34.02 4.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.367 0.603 . . . . 0.0 109.381 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.11 -138.45 5.18 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.049 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . 0.479 ' C ' ' HB3' ' X' ' 7' ' ' SER . 55.7 t -71.22 -30.51 40.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.115 0.483 . . . . 0.0 111.123 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.38 41.64 8.33 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.391 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . 0.716 ' HA ' ' SG ' ' X' ' 30' ' ' CYS . 43.4 m -58.89 -27.34 65.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.904 0.383 . . . . 0.0 110.683 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 15.7 m -60.97 -37.21 81.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.156 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.801 ' HB3' ' HB ' ' X' ' 2' ' ' THR . 3.1 mt -60.5 -42.08 95.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.994 178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . 0.573 ' HB2' ' SG ' ' X' ' 30' ' ' CYS . 42.8 t -56.04 -38.65 70.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.818 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -60.39 -54.81 41.14 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.602 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -64.05 -37.86 88.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.394 0.616 . . . . 0.0 110.045 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -56.02 -45.39 79.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.72 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -86.47 -18.73 30.91 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 67.8 mt -59.19 -35.35 73.43 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -70.17 -41.47 78.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.76 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -67.62 -47.35 69.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.917 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.34 42.32 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.959 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.618 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 83.3 m-85 -139.2 130.09 26.29 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -85.95 39.54 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.75 147.89 5.66 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.12 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -160.41 131.19 2.58 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.584 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -131.53 130.27 42.11 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.29 0.566 . . . . 0.0 110.61 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . 0.716 ' SG ' ' HA ' ' X' ' 13' ' ' SER . 89.0 m -80.66 108.35 14.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.216 0.532 . . . . 0.0 110.161 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 tmtp? -121.22 130.46 53.7 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 59.07 36.75 24.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.163 0.506 . . . . 0.0 110.087 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.33 30.3 17.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.966 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 51.4 mt -137.07 137.79 46.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 52.8 t -69.45 100.64 1.42 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.84 0.352 . . . . 0.0 110.394 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -101.73 109.25 20.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 37' ' ' CYS . . . . . 0.486 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 25.7 m -83.49 162.66 20.86 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 -176.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -148.73 154.83 40.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.418 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 68.63 84.92 0.15 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.774 0.672 . . . . 0.0 111.787 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -76.85 145.76 38.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.217 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 . . . . . 0 C--O 1.252 1.196 0 CA-C-O 118.412 -0.804 . . . . 0.0 110.384 179.472 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . 0.409 ' HB1' ' HB2' ' X' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . 0.51 ' HA ' ' CD2' ' X' ' 15' ' ' LEU . 57.3 m -78.53 -58.12 3.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.963 0.411 . . . . 0.0 111.997 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 85.2 m -136.2 53.2 1.94 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.255 0.55 . . . . 0.0 111.605 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . 0.409 ' HB2' ' HB1' ' X' ' 1' ' ' ALA . 33.0 t0 -94.73 -1.9 52.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.752 0.787 . . . . 0.0 109.91 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.592 ' HG ' HG23 ' X' ' 11' ' ' VAL . 0.6 OUTLIER -91.69 36.97 0.95 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.054 179.287 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.9 -127.21 1.13 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 32.1 t -169.91 55.37 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.288 0.566 . . . . 0.0 109.835 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.08 -50.07 54.08 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.468 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -168.46 118.74 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.808 0.337 . . . . 0.0 110.618 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.33 61.61 7.21 Favored Glycine 0 CA--C 1.504 -0.638 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.96 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . 0.796 HG22 ' H ' ' X' ' 12' ' ' GLY . 8.5 p -65.81 -168.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . 0.796 ' H ' HG22 ' X' ' 11' ' ' VAL . . . -74.71 47.94 1.88 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.354 -0.927 . . . . 0.0 112.554 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 39.5 t -73.24 -41.33 63.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 117.362 0.581 . . . . 0.0 109.994 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 23.6 t -64.38 -41.33 96.74 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.51 ' CD2' ' HA ' ' X' ' 2' ' ' THR . 16.2 tp -61.89 -43.32 99.09 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.807 177.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 36.2 t -56.59 -39.7 73.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.331 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.552 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -57.27 -49.52 75.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -64.42 -42.15 96.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.965 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . 0.413 ' CD2' ' HE3' ' X' ' 23' ' ' LYS . 4.3 t-160 -54.37 -43.2 71.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.554 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 82.6 m -75.51 -36.21 60.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.124 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 88.6 mt -60.29 -39.99 88.89 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 0.0 110.08 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' VAL . . . . . 0.41 HG23 ' O ' ' X' ' 18' ' ' ALA . 74.6 t -62.41 -40.48 88.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.319 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . 0.413 ' HE3' ' CD2' ' X' ' 19' ' ' HIS . 99.6 mttt -69.68 -50.94 39.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.769 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.33 51.59 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.133 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.593 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 85.3 m-85 -130.36 155.7 45.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.756 -0.261 . . . . 0.0 110.723 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -64.8 -33.75 76.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.501 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.28 -169.91 28.48 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.522 -0.846 . . . . 0.0 111.849 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.12 146.24 11.49 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.059 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -149.52 139.31 21.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 15.1 m -88.56 142.14 27.94 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 121.581 0.705 . . . . 0.0 111.852 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.464 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 22.9 tptm -159.98 134.03 7.35 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 32' ' ' ASN . . . . . 0.433 ' O ' HG13 ' X' ' 34' ' ' ILE . 1.1 t-20 64.41 32.3 12.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.14 35.57 18.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.144 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 34' ' ' ILE . . . . . 0.433 HG13 ' O ' ' X' ' 32' ' ' ASN . 56.0 mt -140.18 134.23 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.353 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.8 110.76 5.12 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 36' ' ' HIS . . . . . 0.464 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.8 m-70 -104.37 119.62 39.38 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.985 0.422 . . . . 0.0 109.925 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 37' ' ' CYS . . . . . 0.533 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 71.7 m -80.44 135.99 36.25 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.433 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -89.27 130.03 35.74 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.474 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 49.43 -130.52 1.94 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.053 0.846 . . . . 0.0 112.198 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 40' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -173.3 154.5 2.68 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.242 179.3 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.986 0.422 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . 0.583 HG22 HD21 ' X' ' 15' ' ' LEU . 18.0 p -76.96 135.24 38.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.994 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . 0.638 ' HA ' HG22 ' X' ' 11' ' ' VAL . 11.3 m 66.51 -135.62 0.15 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -178.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 31.0 t70 53.7 30.96 11.93 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.37 0.605 . . . . 0.0 111.668 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 23.2 tp 53.33 40.91 32.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.105 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.84 45.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.182 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 67.5 m -145.92 50.8 1.17 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.751 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.18 -136.94 18.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.381 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -104.9 126.88 52.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.063 0.459 . . . . 0.0 110.468 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . 0.464 ' O ' ' HB ' ' X' ' 11' ' ' VAL . . . 63.68 32.06 82.88 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.429 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' X' ' 3' ' ' CYS . 5.6 t 69.43 -33.73 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.286 0.635 . . . . 0.0 112.592 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' X' ' 10' ' ' GLY . . . 71.58 74.62 0.72 Allowed Glycine 0 N--CA 1.438 -1.215 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . 0.541 ' HB3' ' HA ' ' X' ' 29' ' ' TYR . 15.6 m -54.76 -18.26 4.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 33.4 t -58.49 -39.55 80.31 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.583 HD21 HG22 ' X' ' 2' ' ' THR . 13.3 tp -64.64 -42.35 95.51 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.054 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' X' ' 19' ' ' HIS . 49.6 t -62.16 -38.14 87.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.814 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.5 73.57 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.1 86.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.397 0.618 . . . . 0.0 109.708 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' X' ' 16' ' ' CYS . 9.1 t-160 -58.75 -39.74 81.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.188 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.615 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 67.8 m -71.46 -36.45 71.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.655 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -57.32 -37.93 73.27 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.839 0.352 . . . . 0.0 110.216 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.63 -43.23 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.263 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -70.37 -43.88 69.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.635 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.34 47.51 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.706 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.66 ' CE2' ' HB3' ' X' ' 40' ' ' LYS . 39.7 m-85 -129.64 157.69 41.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.997 0.427 . . . . 0.0 111.192 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -76.83 -29.82 56.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.19 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.98 -178.89 33.41 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.194 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.6 160.6 34.27 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.977 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . 0.541 ' HA ' ' HB3' ' X' ' 13' ' ' SER . 40.3 p90 -150.47 133.4 16.02 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . 0.566 ' CB ' HG11 ' X' ' 11' ' ' VAL . 12.1 t -82.41 131.23 35.22 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.235 -0.586 . . . . 0.0 109.869 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.469 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 43.4 tptt -153.95 130.55 10.7 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 m120 62.27 40.15 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp 72.27 -22.12 0.22 Allowed 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 114.915 -1.039 . . . . 0.0 113.101 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.61 133.85 29.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 42.7 t -75.05 82.04 2.25 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 36' ' ' HIS . . . . . 0.469 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 87.7 m-70 -72.48 125.43 27.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.317 0.58 . . . . 0.0 110.912 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 37' ' ' CYS . . . . . 0.523 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 82.1 m -95.63 149.19 21.72 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.099 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 -131.22 139.52 49.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 57.86 92.31 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.828 0.705 . . . . 0.0 112.263 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 40' ' ' LYS . . . . . 0.777 ' H ' ' HD3' ' X' ' 40' ' ' LYS . 0.0 OUTLIER -95.26 -171.06 2.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.031 0.443 . . . . 0.0 110.299 178.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.6 p90 . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.953 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.768 0.318 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . . . . . . . . . 1.9 m -71.14 -28.14 64.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.464 0.649 . . . . 0.0 109.986 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . 0.438 ' HA ' ' CG1' ' X' ' 11' ' ' VAL . 41.2 t -155.12 132.58 11.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.497 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . 0.762 ' HA ' ' HG2' ' X' ' 33' ' ' LYS . 54.9 t0 -162.3 130.95 4.16 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.003 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.89 -30.84 69.42 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.285 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.31 54.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.833 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . 0.404 ' HB3' ' HA ' ' X' ' 11' ' ' VAL . 69.3 m -152.78 40.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.525 -178.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.22 -128.96 31.4 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.336 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -77.89 -16.35 58.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.201 0.525 . . . . 0.0 111.504 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.33 134.44 1.72 Allowed Glycine 0 C--N 1.313 -0.733 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.241 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . 0.438 ' CG1' ' HA ' ' X' ' 3' ' ' CYS . 14.5 p -67.52 -40.08 83.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.702 0.763 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . 0.411 ' N ' HG13 ' X' ' 11' ' ' VAL . . . -179.22 55.27 0.09 OUTLIER Glycine 0 N--CA 1.438 -1.186 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.515 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 14.6 m -63.22 -29.18 70.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 11.1 m -62.57 -45.52 92.56 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' X' ' 19' ' ' HIS . 19.3 tp -62.97 -47.08 84.71 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.084 177.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 42.4 t -48.68 -45.27 38.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.438 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.93 -59.72 2.6 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.464 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.04 -51.0 33.62 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.362 0.601 . . . . 0.0 112.495 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . 0.504 ' HB3' ' O ' ' X' ' 15' ' ' LEU . 19.2 t60 -60.36 -39.6 87.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.923 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.57 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.1 OUTLIER -75.84 -25.57 56.36 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.558 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 2.9 mp -58.5 -34.92 71.48 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 61.3 t -61.67 -45.17 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.529 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -65.41 -52.6 52.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.565 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.87 36.4 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.377 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.57 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 89.1 m-85 -116.54 153.93 31.32 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . 0.542 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.6 mmp_? -99.99 -0.79 38.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.664 0.269 . . . . 0.0 111.59 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.57 -174.9 40.17 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.427 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . -175.78 144.61 7.23 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -144.3 149.1 35.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.209 0.505 . . . . 0.0 111.607 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 41.9 t -88.57 126.19 35.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.497 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.485 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 16.1 tppt? -163.27 132.42 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 32' ' ' ASN . . . . . 0.452 ' O ' HG13 ' X' ' 34' ' ' ILE . 4.4 m120 58.3 34.24 23.88 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.377 0.423 . . . . 0.0 111.255 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . 0.762 ' HG2' ' HA ' ' X' ' 4' ' ' ASP . 14.8 mtpt 57.7 37.43 27.29 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.206 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 34' ' ' ILE . . . . . 0.452 HG13 ' O ' ' X' ' 32' ' ' ASN . 46.9 mt -143.22 124.06 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.732 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 6.1 t -67.08 100.24 0.74 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 36' ' ' HIS . . . . . 0.485 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.5 m-70 -92.95 103.14 15.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.042 0.448 . . . . 0.0 110.123 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 37' ' ' CYS . . . . . 0.48 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 56.5 m -76.75 144.77 39.03 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.725 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -110.48 142.29 42.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 39' ' ' ASP . . . . . 0.56 ' O ' ' HA ' ' X' ' 25' ' ' TYR . 1.7 m-20 56.95 92.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.982 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 40' ' ' LYS . . . . . 0.537 ' HB2' ' CE2' ' X' ' 25' ' ' TYR . 28.5 tptp -95.95 125.98 40.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.572 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 11.4 p90 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.625 -0.703 . . . . 0.0 110.205 179.808 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 110.467 -0.197 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . 0.57 ' O ' HG12 ' X' ' 11' ' ' VAL . 0.2 OUTLIER -85.75 -25.45 26.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.518 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . 0.413 ' HA ' ' CB ' ' X' ' 7' ' ' SER . 12.3 t -158.7 41.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.072 -0.651 . . . . 0.0 112.115 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -82.31 46.55 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.035 -0.416 . . . . 0.0 111.765 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tm? 71.49 -40.48 0.48 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.023 0.929 . . . . 0.0 111.324 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.36 -6.2 13.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 110.714 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . 0.46 ' CB ' ' HB ' ' X' ' 11' ' ' VAL . 1.5 p -70.12 -18.54 63.24 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.888 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.11 -126.3 7.82 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.361 -179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -129.37 44.62 2.94 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.153 0.501 . . . . 0.0 110.514 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.25 -51.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.634 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . 0.57 HG12 ' O ' ' X' ' 2' ' ' THR . 76.8 t -49.5 -41.36 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . 0.404 ' HA2' ' HB2' ' X' ' 3' ' ' CYS . . . -51.04 -41.16 45.2 Favored Glycine 0 C--N 1.321 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 113.822 -179.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 6.4 p -105.41 -34.82 7.7 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . 0.467 ' C ' ' H ' ' X' ' 16' ' ' CYS . 36.5 t -64.1 -51.63 63.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.535 HD12 HG13 ' X' ' 11' ' ' VAL . 10.7 mt -81.89 37.2 0.47 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.787 0.803 . . . . 0.0 109.265 177.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . 0.467 ' H ' ' C ' ' X' ' 14' ' ' SER . 2.3 t -143.02 -47.2 0.31 Allowed 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.736 -1.12 . . . . 0.0 108.425 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.633 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -62.93 -51.78 65.58 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.156 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . 0.661 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -80.2 -48.8 12.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.668 0.747 . . . . 0.0 111.249 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -53.97 -42.24 68.74 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.037 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.6 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 84.1 m -70.57 -29.5 65.96 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.18 -0.325 . . . . 0.0 111.001 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' X' ' 18' ' ' ALA . 84.6 mt -56.71 -42.88 79.91 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.356 0.598 . . . . 0.0 109.502 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 61.0 t -56.2 -45.02 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.787 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -68.98 -42.02 77.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.132 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.32 45.01 0.14 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.196 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.6 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 42.7 m-85 -131.41 149.94 52.34 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . 0.604 ' HB2' ' HB2' ' X' ' 39' ' ' ASP . 7.5 mmp_? -67.17 -30.94 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.854 0.359 . . . . 0.0 111.0 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.63 -157.42 10.34 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.362 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.59 153.42 21.74 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . 0.51 ' HE2' ' HB3' ' X' ' 38' ' ' ARG . 32.2 p90 -143.44 140.43 30.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.943 0.401 . . . . 0.0 111.636 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 18.9 t -78.98 128.23 33.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.333 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.4 ' HB3' ' HD2' ' X' ' 36' ' ' HIS . 0.3 OUTLIER -150.96 130.47 12.97 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.178 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 32' ' ' ASN . . . . . 0.441 ' O ' HG13 ' X' ' 34' ' ' ILE . 6.2 m120 65.02 32.08 10.71 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -177.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . 0.687 ' HA ' ' HE3' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 61.08 39.74 15.84 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.76 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 34' ' ' ILE . . . . . 0.441 HG13 ' O ' ' X' ' 32' ' ' ASN . 24.3 mt -147.54 130.27 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.317 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 35' ' ' CYS . . . . . 0.485 ' HB3' ' CB ' ' X' ' 2' ' ' THR . 0.1 OUTLIER -69.04 121.73 17.27 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.211 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 36' ' ' HIS . . . . . 0.4 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 85.1 m-70 -114.15 113.65 24.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.919 0.39 . . . . 0.0 110.296 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 37' ' ' CYS . . . . . 0.556 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 90.2 m -67.39 139.88 57.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . 0.523 ' O ' ' HB3' ' X' ' 25' ' ' TYR . 43.1 ptt85 -124.67 146.96 48.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.325 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 39' ' ' ASP . . . . . 0.604 ' HB2' ' HB2' ' X' ' 26' ' ' ARG . 1.7 m-20 66.24 74.79 0.35 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.102 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 40' ' ' LYS . . . . . 0.571 ' HD3' ' CZ ' ' X' ' 25' ' ' TYR . 58.0 tptt -82.32 123.65 29.26 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.919 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 41' ' ' PHE . . . . . 0.494 ' HE1' ' HG2' ' X' ' 26' ' ' ARG . 5.6 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.172 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.786 0.327 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . 0.512 ' HA ' HD23 ' X' ' 15' ' ' LEU . 96.3 m -155.16 -42.16 0.08 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.263 0.554 . . . . 0.0 110.343 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . . . . . . . . . 34.0 m -128.43 44.76 2.89 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.045 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -74.0 -11.64 60.39 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.701 0.762 . . . . 0.0 110.958 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' X' ' 6' ' ' ALA . 7.3 tt -139.57 -72.35 0.38 Allowed 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.936 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' X' ' 5' ' ' LEU . . . 170.52 35.71 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.978 0.799 . . . . 0.0 110.544 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . 0.611 ' HB2' ' CA ' ' X' ' 12' ' ' GLY . 11.0 t 56.11 -151.93 0.39 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.86 -47.45 9.6 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -171.71 44.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.14 36.69 0.41 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.834 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t 67.22 -50.92 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . 0.611 ' CA ' ' HB2' ' X' ' 7' ' ' SER . . . 132.0 25.37 0.75 Allowed Glycine 0 C--N 1.318 -0.437 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 3.1 p -69.86 -40.8 75.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.735 0.302 . . . . 0.0 111.376 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 15.0 t -64.88 -49.32 70.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.331 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' X' ' 2' ' ' THR . 25.5 tp -60.25 -43.95 95.69 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . . . . . . . . . 38.8 t -50.94 -44.31 60.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.74 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -63.21 -52.93 60.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 110.908 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . 0.594 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -57.25 -47.47 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.935 0.874 . . . . 0.0 111.098 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -60.38 -42.67 96.32 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.177 -1.374 . . . . 0.0 111.064 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.547 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 94.5 m -69.64 -31.9 70.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.677 0.275 . . . . 0.0 110.767 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' X' ' 18' ' ' ALA . 81.7 mt -60.11 -36.46 77.48 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.84 -44.97 91.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.596 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -69.81 -43.43 72.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.794 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 24' ' ' GLY . . . . . 0.602 ' O ' ' HD2' ' X' ' 40' ' ' LYS . . . 133.27 36.49 0.27 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.773 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.547 ' HB2' ' HB3' ' X' ' 20' ' ' CYS . 66.9 m-85 -112.32 157.11 21.37 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.0 mmp_? -63.96 -34.38 77.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.121 0.486 . . . . 0.0 110.341 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.41 -163.14 25.76 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.97 138.16 5.19 Favored Glycine 0 N--CA 1.44 -1.078 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.361 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . 0.468 ' HE2' ' HB3' ' X' ' 38' ' ' ARG . 44.5 p90 -124.69 131.45 53.46 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 21.1 t -87.76 125.45 34.44 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -136.4 130.31 32.54 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 m120 59.65 41.92 17.91 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 123.714 0.634 . . . . 0.0 110.134 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm 61.96 28.97 17.64 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.982 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -136.83 126.57 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.779 0.324 . . . . 0.0 110.307 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 27.1 t -70.95 127.18 31.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.945 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -122.24 112.6 18.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.781 0.324 . . . . 0.0 110.353 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 37' ' ' CYS . . . . . 0.523 ' HB3' ' CG ' ' X' ' 25' ' ' TYR . 84.5 m -72.06 133.43 45.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.218 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . 0.468 ' HB3' ' HE2' ' X' ' 29' ' ' TYR . 24.9 ptt-85 -113.75 128.86 56.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.952 0.406 . . . . 0.0 111.814 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 39' ' ' ASP . . . . . . . . . . . . . 44.3 t0 59.73 120.1 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.457 -1.247 . . . . 0.0 113.374 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 40' ' ' LYS . . . . . 0.602 ' HD2' ' O ' ' X' ' 24' ' ' GLY . 29.0 tptp -97.83 129.29 44.81 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.754 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 24.9 p90 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.574 -0.727 . . . . 0.0 110.253 179.529 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . 0.799 ' HA ' HD23 ' X' ' 15' ' ' LEU . 2.4 m -71.45 -51.82 21.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . 0.748 ' SG ' HG22 ' X' ' 11' ' ' VAL . 15.0 t -154.29 29.74 0.44 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.482 0.658 . . . . 0.0 110.431 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -85.04 50.15 1.88 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.688 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tm? 71.48 -47.85 0.67 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.604 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.82 71.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.107 0.48 . . . . 0.0 111.789 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . 0.905 ' HB3' ' HA ' ' X' ' 11' ' ' VAL . 3.0 t -142.38 -37.35 0.39 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.24 -162.95 24.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.729 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -82.95 49.75 1.58 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.302 1.048 . . . . 0.0 110.125 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.43 39.38 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 107.478 -2.249 . . . . 0.0 107.478 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . 0.905 ' HA ' ' HB3' ' X' ' 7' ' ' SER . 3.1 p -47.21 134.06 3.86 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.519 0 CA-C-N 113.411 -1.394 . . . . 0.0 113.168 -177.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . 0.516 ' HA3' ' SG ' ' X' ' 3' ' ' CYS . . . 72.43 -51.75 1.44 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 113.453 -1.703 . . . . 0.0 113.846 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . 0.696 ' HA ' ' HA ' ' X' ' 29' ' ' TYR . 22.6 t -52.62 -51.2 61.07 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 18.4 m -61.41 -55.76 27.77 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.799 HD23 ' HA ' ' X' ' 2' ' ' THR . 53.5 tp -61.23 -50.54 72.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.746 -179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' X' ' 20' ' ' CYS . 8.0 t -52.81 -40.15 63.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.411 ' HA ' ' N ' ' X' ' 28' ' ' GLY . . . -65.47 -51.12 62.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.928 0.394 . . . . 0.0 111.154 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -51.06 68.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.838 0.827 . . . . 0.0 111.711 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -61.1 -45.57 94.17 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.019 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -72.01 -21.56 61.54 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.683 -179.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.635 ' HA ' ' O ' ' X' ' 25' ' ' TYR . 4.9 mt -61.36 -36.23 79.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.92 -43.92 89.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.057 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.01 -46.94 88.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.564 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.05 -3.0 0.46 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.384 -0.912 . . . . 0.0 112.375 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.635 ' O ' ' HA ' ' X' ' 21' ' ' LEU . 28.5 m-85 -87.83 157.88 18.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . 0.762 ' HG2' ' HB2' ' X' ' 39' ' ' ASP . 0.0 OUTLIER -71.36 -24.15 62.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . 172.58 -140.65 5.82 Favored Glycine 0 N--CA 1.439 -1.111 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.306 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . 0.411 ' N ' ' HA ' ' X' ' 17' ' ' ALA . . . 177.06 -157.07 21.77 Favored Glycine 0 N--CA 1.442 -0.948 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.705 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . 0.696 ' HA ' ' HA ' ' X' ' 13' ' ' SER . 47.6 p90 -170.77 -170.9 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . 0.472 ' HB2' ' HA3' ' X' ' 12' ' ' GLY . 41.8 t -129.76 138.17 50.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.995 0.426 . . . . 0.0 109.98 178.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -141.44 122.86 14.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 32' ' ' ASN . . . . . . . . . . . . . 2.9 m120 62.81 37.17 12.55 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.532 0.52 . . . . 0.0 109.649 -177.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' X' ' 33' ' ' LYS . 0.0 OUTLIER 60.61 37.21 19.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.298 -179.501 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 36.6 mt -141.71 123.52 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.39 131.74 47.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.242 0.544 . . . . 0.0 111.227 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 36' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -136.54 123.11 20.93 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 37' ' ' CYS . . . . . . . . . . . . . 38.0 m -82.02 165.02 21.02 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.915 -178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -151.52 148.67 28.31 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.275 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 39' ' ' ASP . . . . . 0.762 ' HB2' ' HG2' ' X' ' 26' ' ' ARG . 57.5 m-20 59.84 86.58 0.09 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.216 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 40' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' X' ' 25' ' ' TYR . 27.5 tptp -89.03 131.46 35.19 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.54 178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.916 179.301 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' THR . . . . . 0.47 HG21 ' HA ' ' X' ' 16' ' ' CYS . 5.0 m -61.13 -52.33 65.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.002 0.429 . . . . 0.0 111.848 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' CYS . . . . . 0.64 ' HB3' ' CG1' ' X' ' 11' ' ' VAL . 1.8 p -162.55 151.31 14.87 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.55 0.69 . . . . 0.0 111.454 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' ASP . . . . . 0.436 ' C ' ' HB3' ' X' ' 33' ' ' LYS . 6.6 t70 -170.85 -149.11 0.06 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.167 -1.379 . . . . 0.0 107.312 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.659 HD13 ' HG3' ' X' ' 33' ' ' LYS . 3.9 mm? -77.2 -21.93 53.14 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.895 0.378 . . . . 0.0 110.604 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -23.76 67.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.811 0.815 . . . . 0.0 109.892 178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . 0.45 ' HB3' ' HB ' ' X' ' 11' ' ' VAL . 4.8 m -76.65 142.29 40.67 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.156 -1.384 . . . . 0.0 110.001 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.88 -48.21 82.67 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.428 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -139.79 -132.84 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.95 -6.31 72.88 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.384 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' VAL . . . . . 0.64 ' CG1' ' HB3' ' X' ' 3' ' ' CYS . 8.9 p 39.41 -133.34 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 124.39 1.076 . . . . 0.0 112.165 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' GLY . . . . . 0.616 ' H ' HG22 ' X' ' 11' ' ' VAL . . . -76.05 67.86 2.36 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.72 -0.276 . . . . 0.0 112.832 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 13' ' ' SER . . . . . . . . . . . . . 19.9 m -62.01 -36.87 82.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 14' ' ' SER . . . . . . . . . . . . . 70.4 m -67.45 -33.05 74.34 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.871 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 22.1 tp -63.96 -43.14 96.68 Favored 'General case' 0 C--O 1.223 -0.295 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 16' ' ' CYS . . . . . 0.47 ' HA ' HG21 ' X' ' 2' ' ' THR . 49.6 t -49.84 -44.31 49.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.425 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.676 ' O ' ' HG ' ' X' ' 21' ' ' LEU . . . -66.62 -55.86 13.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 178.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . 0.647 ' HA ' HD12 ' X' ' 21' ' ' LEU . . . -52.59 -52.38 55.48 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.828 0.823 . . . . 0.0 112.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 19' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -56.96 -43.87 82.01 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.269 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 20' ' ' CYS . . . . . 0.581 ' HB3' ' HB2' ' X' ' 25' ' ' TYR . 0.4 OUTLIER -75.32 -22.27 57.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' X' ' 17' ' ' ALA . 96.6 mt -59.71 -39.89 86.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.47 -44.36 98.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.453 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -62.93 -52.38 63.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.926 -1.033 . . . . 0.0 111.188 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.77 43.81 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.979 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.632 ' CE2' ' HB3' ' X' ' 40' ' ' LYS . 31.4 m-85 -125.67 157.12 38.09 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' X' ' 26' ' ' ARG . 5.8 mmp_? -86.54 -17.79 33.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.036 0.445 . . . . 0.0 111.288 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.89 -159.92 14.44 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.14 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' X' ' 37' ' ' CYS . . . 165.43 149.75 5.98 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.545 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 29' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' X' ' 31' ' ' LYS . 46.8 p90 -161.0 141.05 10.96 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.771 0.319 . . . . 0.0 110.376 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 30' ' ' CYS . . . . . . . . . . . . . 64.1 m -75.69 117.58 17.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' X' ' 29' ' ' TYR . 11.2 tmtt? -130.71 137.94 49.76 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 32' ' ' ASN . . . . . 0.458 ' N ' ' HD3' ' X' ' 31' ' ' LYS . 23.9 p30 50.93 39.22 22.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.649 0.738 . . . . 0.0 109.371 -176.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 33' ' ' LYS . . . . . 0.659 ' HG3' HD13 ' X' ' 5' ' ' LEU . 0.0 OUTLIER 76.23 -27.98 0.18 Allowed 'General case' 0 C--N 1.347 0.467 0 CA-C-N 114.232 -1.349 . . . . 0.0 112.995 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 34' ' ' ILE . . . . . . . . . . . . . 65.5 mt -84.15 135.5 24.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 35' ' ' CYS . . . . . 0.64 ' HB2' ' SG ' ' X' ' 3' ' ' CYS . 6.6 t -69.31 100.4 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 36' ' ' HIS . . . . . 0.454 ' HD2' ' HB3' ' X' ' 31' ' ' LYS . 94.7 m-70 -97.0 106.04 18.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.2 0.524 . . . . 0.0 109.723 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 37' ' ' CYS . . . . . 0.482 ' HA ' ' HA2' ' X' ' 28' ' ' GLY . 66.9 m -75.05 144.27 43.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.83 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -99.97 120.83 40.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 39' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' X' ' 25' ' ' TYR . 39.0 t70 59.04 126.31 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 O-C-N 124.511 1.132 . . . . 0.0 113.283 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 40' ' ' LYS . . . . . 0.632 ' HB3' ' CE2' ' X' ' 25' ' ' TYR . 0.0 OUTLIER -119.15 37.4 4.15 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.824 178.839 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.251 1.132 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.08 179.668 . . . . . . . . 0 0 . 1 stop_ save_